SCHEMBL443391

SCHEMBL443391

CCC(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL443941 0.94 ALDH1A1 (0.42) ALDH1A1LMNAKMT2AMEN1NR1H4
SCHEMBL5099364 0.92 ADCY6 (0.41) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL446694 0.91 ADCY6 (0.42) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL446383 0.90 ALDH1A1 (0.42) ALDH1A1LMNAKMT2AMEN1NR1H4
SCHEMBL448304 0.85 ALDH1A1 (0.43) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL443649 0.84 HDAC1 (0.40) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL443817 0.77 MEN1 (0.43) KMT2AMEN1
SCHEMBL9370808 0.75 AGTR1 (0.42)
SCHEMBL9658708 0.73 LTB4R2 (0.51)
SCHEMBL446384 0.73 LTB4R2 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring RENASCIENCE CO., LTD (JP) 2007-05-10 US claimed
EP-1679310-A1 PHENYLENE DERIVATIVE HAVING TETRAZOLE RING OR THIAZOLIDINEDIONE RING Sankyo Company, Limited (JP) 2006-07-12 EP claimed
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
EP-2662453-A2 Detection and treatment of schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2013-11-13 EP disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
EP-2189537-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-05-26 EP disclosed
US-7417052-B2 Phenylene derivative having tetrazole ring or thiazolidinedione ring SANKYO COMPANY, LIMITED (JP) 2008-08-26 US disclosed
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring RENASCIENCE CO., LTD (JP) 2007-05-10 US disclosed
EP-1679310-A1 PHENYLENE DERIVATIVE HAVING TETRAZOLE RING OR THIAZOLIDINEDIONE RING Sankyo Company, Limited (JP) 2006-07-12 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 (3 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-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ALDH1A1 240/4885LMNA 4046/4885KMT2A 1703/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ALDH1A1 240/4885LMNA 4046/4885KMT2A 1703/4885
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring JAK2, ABL1, CYP3A5 ALDH1A1 53/4885LMNA 4185/4885KMT2A 2746/4885

“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.