SCHEMBL2776006

SCHEMBL2776006

Cc1csc2nc3ccccc3n12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
HSD17B10 Q99714 5/20 0.62
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
HPGD P15428 4/20 0.62
RCE1 Q9Y256 1/20 0.62
PKM P14618 1/20 0.49
GLA P06280 1/20 0.46
TP53 P04637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS2 P35354 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
EGFR P00533 2/20 0.43

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
SCHEMBL13436033 0.81 SMN1; SMN2 (0.51) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL9523615 0.79 EGFR (0.48) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL18701121 0.78 SMN1; SMN2 (0.46) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL18083272 0.78 IDO1 (0.52) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL18701233 0.77 HSD17B10 (0.45) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL10978164 0.77 KDM4E (1.00) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL2777859 0.77 KDM4E (0.46) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL18083271 0.76 KDM4E (0.64) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
Iodide SCHEMBL2777739 0.76 KDM4E (0.44) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL8599938 0.73 KDM4E (0.52) KDM4EHSD17B10ALDH1A1SMN1; SMN2HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054874-B1 SUBSTITUTED AMINOPHENYL ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-08-28 EP claimed
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-6642264-B1 Thiazolo(3,2-a)benzoimidazole derivatives act specifically on metabotropic glutamate receptors and are used as medicaments. YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-1167369-A1 NOVEL THIAZOLOBENZIMIDAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-01-02 EP 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 (1 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-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 KDM4E 3435/4885HSD17B10 1592/4885ALDH1A1 643/4885

“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.