SCHEMBL448304

SCHEMBL448304

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.37
NR1H4 Q96RI1 4/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37

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 0.92 ALDH1A1 (0.42) ALDH1A1CA1CA2LMNAKMT2A
SCHEMBL5099364 0.86 ADCY6 (0.41) ALDH1A1LMNAKMT2ANR1H4MAPT
SCHEMBL446694 0.86 ADCY6 (0.42) ALDH1A1LMNAKMT2ANR1H4MAPT
SCHEMBL443391 0.85 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ANR1H4MAPT
SCHEMBL443649 0.82 HDAC1 (0.40) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL446383 0.79 ALDH1A1 (0.42) ALDH1A1LMNAKMT2ANR1H4NPC1
SCHEMBL443817 0.75 MEN1 (0.43) CA1CA2KMT2AMEN1
SCHEMBL446470 0.73 ALDH1A1 (0.42) ALDH1A1CA1CA2LMNAKMT2A
SCHEMBL5099493 0.73 AGTR1 (0.40) ALDH1A1CA1CA2LMNAKMT2A
SCHEMBL7427703 0.71 FOLH1 (0.52) ALDH1A1KMT2ANR1H4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 240/4885CA1 1486/4885CA2 2650/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ALDH1A1 240/4885CA1 1486/4885CA2 2650/4885
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring JAK2, ABL1, CYP3A5 ALDH1A1 53/4885CA1 1399/4885CA2 808/4885

“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.