SCHEMBL182043

SCHEMBL182043

COC(=O)c1ccccc1-c1cc[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A2 P23975 1/20 0.51
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CFTR P13569 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ROCK2 O75116 1/20 0.46
CSF1R P07333 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
ROCK1 Q13464 1/20 0.46
SLK Q9H2G2 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
SDHB P21912 1/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL28706636 0.85 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2TSHRLMNA
SCHEMBL7360724 0.83 TSHR (0.57) TSHRLMNAALDH1A1HSD17B10KDM4E
SCHEMBL21874742 0.83 BCAT2 (0.36) SLC6A3SLC6A4SLC6A2TSHRALDH1A1
SCHEMBL13860566 0.83 GAA (0.45) LMNAALDH1A1GSK3BCDK5KDM4E
SCHEMBL1535274 0.81 RAB9A (0.46) TSHRLMNAALDH1A1HSD17B10KDM4E
SCHEMBL16277306 0.80 CYP46A1 (0.61) ALDH1A1HSD17B10KDM4EPOLBMAPT
SCHEMBL696661 0.80 BCAT2 (0.55) TSHRALDH1A1HSD17B10IRAK4KDM4E
SCHEMBL30528245 0.80 BCAT2 (0.55) TSHRALDH1A1HSD17B10IRAK4KDM4E
SCHEMBL7363951 0.80 ALDH1A1 (0.40) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL30528244 0.80 BCAT2 (0.55) TSHRALDH1A1HSD17B10IRAK4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
EP-2402323-A2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2012-01-04 EP disclosed
EP-2363129-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-09-07 EP disclosed
EP-2316452-A1 Pyrrol derivatives, uses thereof PTC Therapeutics, Inc. (US) 2011-05-04 EP disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 US disclosed
EP-1799207-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044502-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2006-04-27 WO 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 (2 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-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, RNMT, VHL SLC6A3 3797/4885SLC6A4 4092/4885SLC6A2 4607/4885
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL SLC6A3 3797/4885SLC6A4 4092/4885SLC6A2 4607/4885

“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.