SCHEMBL839648

SCHEMBL839648

c1ccc2c(c1)nc1n2CCS1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAPT P10636 5/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 2/20 0.46
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
TGFBR1 P36897 1/20 0.42
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11675656 0.98 ALDH1A1 (0.54) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL11675438 0.91 ALDH1A1 (0.65) ALDH1A1MAPTLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL11675004 0.89 ALDH1A1 (0.63) ALDH1A1MAPTLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL11832825 0.88 ALDH1A1 (0.57) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL12349572 0.76 ALDH1A1 (0.83) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL11677234 0.76 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL29721715 0.76 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL6299773 0.76 ALDH1A1 (0.67) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL16327972 0.76 ALDH1A1 (0.46) ALDH1A1MAPTLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL11675425 0.75 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-7906541-B2 Process to prepare new substituted 1H-benzo[d]imidazol-2(3H)-ones, new intermediates and their use as BACE 1 inhibitors UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2011-03-15 US disclosed
WO-2010052670-A1 PROCESS TO PREPARE NEW SUBSTITUTED 1H-BENZO [d] IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2010-05-14 WO disclosed
US-20100120880-A1 PROCESS TO PREPARE NEW SUBSITUTED 1H-BENZO[d]IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2010-05-13 US disclosed
EP-2184276-A1 Process to prepare new substituted 1H-Benzo(d) imidazol-2(3h)-Ones, New intermediates and their use as bace 1 inhibitors UNIVERSITE PAUL CEZANNE AIX-MARSEILLE III (FR) 2010-05-12 EP disclosed
US-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 US disclosed
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 US disclosed
US-20070027130-A1 Tricyclic 6-alkylidene-penem beta-lactamase inhibitors and beta-lactam antibiotic combination: a broad spectrum antibiotic WYETH (US) 2007-02-01 US disclosed
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040214812-A1 4-Substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2004-10-28 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE INHIBITORS WYETH (US) 2003-11-13 WO disclosed
US-4017507-A ANTIPYRETICS, VIRICIDES, ANTIANAPHYLACTIC SHOCK RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-04-12 US disclosed
US-3932395-A ANTIPYRETIC, ANTIPHLOGISTIC AGENTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1976-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070027130-A1 Tricyclic 6-alkylidene-penem beta-lactamase inhibitors and beta-lactam antibiotic combination: a broad spectrum antibiotic MGAM, B2M, PEPD ALDH1A1 1461/4885MAPT 1224/4885LMNA 614/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP ALDH1A1 765/4885MAPT 2034/4885LMNA 387/4885
US-20040214812-A1 4-Substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors DDC, AADAC, ALDH7A1 ALDH1A1 84/4885MAPT 4145/4885LMNA 3896/4885
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 ALDH1A1 453/4885MAPT 3000/4885LMNA 2690/4885
US-20100120880-A1 PROCESS TO PREPARE NEW SUBSITUTED 1H-BENZO[d]IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS BACE1, BACE2, PSEN1 ALDH1A1 643/4885MAPT 15/4885LMNA 1574/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS ALDH1A1 484/4885MAPT 3347/4885LMNA 2463/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM ALDH1A1 920/4885MAPT 3913/4885LMNA 522/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP ALDH1A1 646/4885MAPT 2074/4885LMNA 391/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.