SCHEMBL381164

SCHEMBL381164

COC(=O)c1sc(N)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.52
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 5/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.44
ALOX15 P16050 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
IKBKB O14920 1/20 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
Hydrochloric Acid SCHEMBL5445499 0.98 MAPK14 (0.51) MAPK14KDM4EALDH1A1MAPTKMT2A
SCHEMBL244336 0.81 ALOX15 (0.58) KDM4EALDH1A1MAPTKMT2AHSD17B10
Hydrochloric Acid SCHEMBL244320 0.80 ALOX15 (0.56) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL19066913 0.80 CISD2 (0.42) MAPK14KDM4EALDH1A1MAPTHSD17B10
SCHEMBL2027674 0.80 MAPT (0.47) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL29954703 0.78 ALDH1A1 (0.43) MAPK14KDM4EALDH1A1MAPTKMT2A
SCHEMBL243572 0.78 KDM4E (0.42) MAPK14KDM4EALDH1A1MAPTKMT2A
SCHEMBL14507422 0.78 IKBKB (0.45) ALDH1A1MAPTKMT2AHSD17B10MEN1
SCHEMBL14029306 0.78 KDM4E (0.45) MAPK14KDM4EALDH1A1MAPTKMT2A
SCHEMBL12272115 0.77 MAPT (0.57) KDM4EALDH1A1MAPTKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638113-B1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME MILLIKEN & CO (US) 2017-01-04 EP disclosed
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 WO disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 WO disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20060046999-A1 Monocyclic aroylpyridinones as antiinflammatory agents BAYER HEALTHCARE AG (DE) 2006-03-02 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 (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-20060046999-A1 Monocyclic aroylpyridinones as antiinflammatory agents PTGIS, PTGES, PTGES2 MAPK14 1373/4885KDM4E 1070/4885ALDH1A1 413/4885
US-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 MAPK14 1593/4885KDM4E 1529/4885ALDH1A1 2036/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A MAPK14 265/4885KDM4E 857/4885ALDH1A1 3481/4885
US-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 MAPK14 1339/4885KDM4E 1075/4885ALDH1A1 1001/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 MAPK14 224/4885KDM4E 1262/4885ALDH1A1 2950/4885

“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.