SCHEMBL446383

SCHEMBL446383

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
MME P08473 1/20 0.39
MMEL1 Q495T6 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MIF P14174 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
MITF O75030 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL443391 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1NR1H4SMN1; SMN2
SCHEMBL443941 0.88 ALDH1A1 (0.42) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL5099364 0.86 ADCY6 (0.41) ALDH1A1KMT2AMEN1MMENR1H4
SCHEMBL446694 0.85 ADCY6 (0.42) ALDH1A1KMT2AMEN1MMENR1H4
SCHEMBL448304 0.79 ALDH1A1 (0.43) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL27519909 0.79 RAB9A (0.60) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL443649 0.78 HDAC1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL27549741 0.75 KMT2A (0.66) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL27546750 0.75 POLB (0.57) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL27520404 0.75 PPARA (0.53) ALDH1A1KMT2ANPC1RAB9AMEN1

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 240/4885KMT2A 1703/4885NPC1 3856/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ALDH1A1 240/4885KMT2A 1703/4885NPC1 3856/4885
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring JAK2, ABL1, CYP3A5 ALDH1A1 53/4885KMT2A 2746/4885NPC1 1038/4885

“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.