SCHEMBL29181

SCHEMBL29181

c1csc(N2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
PRCP P42785 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PSMD14 O00487 1/20 0.39
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8181923 1.00 NPC1 (0.44) NPC1RAB9AKMT2AMEN1PRCP
SCHEMBL3053970 0.98 GAA (0.42) NPC1RAB9AKMT2AMEN1PRCP
SCHEMBL2048093 0.93
SCHEMBL2635747 0.88
SCHEMBL19035612 0.82 NCF1 (0.45) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL8204298 0.80 PKM (0.34) NPC1RAB9AKMT2AMEN1PRCP
SCHEMBL17198007 0.80 ALDH1A1 (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6345668 0.78 HTT (0.52) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL1035325 0.78 MAPT (0.34) NPC1RAB9AKMT2AMEN1PRCP
SCHEMBL4328483 0.78 ADRB1 (0.47) SIGMAR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199882-A1 THIENYL-DIBENZOAZEPINES AND THEIR DERIVATIVES AS DONORS FOR XANTHENE-BASED SHORT-WAVE INFRARED (SWIR) DYES MISSISSIPPI STATE UNIVERSITY (US) 2024-06-20 US claimed
US-20240124714-A1 NEAR INFRARED DYES FOR BIOLOGICAL IMAGING AND OPTOELECTRONIC DEVICES MISSISSIPPI STATE UNIVERSITY (US) 2024-04-18 US claimed
CN-111909167-B Piperidinothiophene derivative and application thereof in preparation of medicine for treating psoriasis 华东师范大学 2021-11-19 CN claimed
US-11130766-B2 Deuterated thienopiperidine derivatives, manufacturing method, and application thereof JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2021-09-28 US claimed
US-20210179632-A1 THIENOPIPERIDINE DERIVATIVE AND USE THEREOF JIANGSU TASLY DIYI PHARMACEUTICAL CO LTD (CN) 2021-06-17 US claimed
CN-111909167-A Novel piperidinothiophene derivative and application thereof in preparing medicine for treating psoriasis 华东师范大学 2020-11-10 CN claimed
CN-108191885-B Piperidinothiophene micromolecule organic compound and application thereof 华东师范大学 2020-08-04 CN claimed
EP-3048108-B1 THIENOPIPERIDINE DERIVATIVE AND USE THEREOF JIANGSU TASLY DIYI PHARMACEUTICAL CO LTD (CN) 2020-07-15 EP claimed
CN-107922448-B Deuterated thienopiperidine derivative, preparation method and application thereof 江苏天士力帝益药业有限公司 2020-06-12 CN claimed
CN-110981912-A Phosphoric acid triester DOPO derivative flame retardant and preparation method thereof 寿光卫东化工有限公司 2020-04-10 CN claimed
EP-2069301-B1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2011-09-07 EP claimed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
EP-2272829-A2 Process for the preparation of pleuromutilins Nabriva Therapeutics AG (AT) 2011-01-12 EP claimed
US-20090253748-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2009-10-08 US claimed
EP-2106260-A1 INSULIN SENSITISERS AND METHODS OF TREATMENT Verva Pharmaceuticals Ltd (AU) 2009-10-07 EP claimed
EP-2069301-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS Nabriva Therapeutics Forschungs GmbH (AT) 2009-06-17 EP claimed
WO-2008089521-A1 INSULIN SENSITISERS AND METHODS OF TREATMENT VERVA PHARMACEUTICALS LTD (AU) 2008-07-31 WO claimed
WO-2008040043-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2008-04-10 WO claimed
EP-1908750-A1 Process for the preparation of pleuromutilins Nabriva Therapeutics Forschungs GmbH (AT) 2008-04-09 EP claimed
US-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US claimed

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

For each of this compound's patents that has machine-readable text (5 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-20240124714-A1 NEAR INFRARED DYES FOR BIOLOGICAL IMAGING AND OPTOELECTRONIC DEVICES SIGMAR1, HEATR1, CD209 NPC1 2680/4885RAB9A 378/4885KMT2A 4519/4885
US-20090253748-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS PLEC, MLN, PTMA NPC1 4843/4885RAB9A 874/4885KMT2A 911/4885
US-11130766-B2 Deuterated thienopiperidine derivatives, manufacturing method, and application thereof DHPS, QDPR, TBXA2R NPC1 1501/4885RAB9A 2265/4885KMT2A 2222/4885
US-20210179632-A1 THIENOPIPERIDINE DERIVATIVE AND USE THEREOF TBXA2R, PF4, P2RY4 NPC1 2587/4885RAB9A 1039/4885KMT2A 2689/4885
US-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors GRM2, GRIA2, GRM1 NPC1 3777/4885RAB9A 1976/4885KMT2A 1657/4885

“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.