SCHEMBL8714517

SCHEMBL8714517

COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.70
KMT2A Q03164 8/20 0.70
GAA P10253 1/20 0.70
ALOX5 P09917 1/20 0.64
MAPT P10636 7/20 0.64
ALDH1A1 P00352 7/20 0.64
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.60
POLB P06746 1/20 0.58
TDP1 Q9NUW8 2/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
CASP3 P42574 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL8711180 0.87 ALOX5 (0.64) MEN1KMT2AGAAALOX5MAPT
SCHEMBL11972732 0.86 ALDH1A1 (0.57) MEN1KMT2AGAAALOX5MAPT
SCHEMBL11485213 0.86 ALOX5 (0.63) MEN1KMT2AGAAALOX5MAPT
SCHEMBL13187282 0.85 MEN1 (0.79) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL6035317 0.85 ALDH1A1 (0.79) MEN1KMT2AGAAALOX5MAPT
SCHEMBL1663559 0.84 ALOX5 (0.64) MEN1KMT2AGAAALOX5MAPT
SCHEMBL30409295 0.84 MEN1 (0.73) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL11972772 0.84 MEN1 (0.90) MEN1KMT2AGAAALOX5MAPT
SCHEMBL5151922 0.82 MAPT (0.68) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL5137239 0.82 NPC1 (0.73) MEN1KMT2AGAAMAPTALDH1A1

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-8927584-B2 Synthesis of 2-(4-aminophenyl)benzothiazole derivatives and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-01-06 US disclosed
US-20140046290-A1 SYNTHESIS OF 2-(4-AMINOPHENYL)BENZOTHIAZOLE DERIVATIVES AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2014-02-13 US disclosed
US-8592603-B2 Synthesis of 2-(4-aminophenyl) benzothiazole derivatives and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-11-26 US disclosed
US-20120215154-A1 SYNTHESIS OF 2-(4-AMINOPHENYL) BENZOTHIAZOLE DERIVATIVES AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-08-23 US disclosed
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed
US-5278180-A 4,5-bis(aryl) 4H-1,2,4-triazoles derivatives and analgesic use ROUSSEL UCLAF (FR) 1994-01-11 US disclosed
EP-0176444-B1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 4H-1,2,4-TRIAZOLE, TRIAZOLES SO OBTAINED, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-02-22 EP disclosed
EP-0176444-A1 Process for the preparation of derivatives of 4H-1,2,4-triazole, triazoles so obtained, their use as medicaments, and pharmaceutical compositons containing them ROUSSEL-UCLAF (FR) 1986-04-02 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 (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-20140046290-A1 SYNTHESIS OF 2-(4-AMINOPHENYL)BENZOTHIAZOLE DERIVATIVES AND USE THEREOF CCNT1, PPOX, TPT1 MEN1 1141/4885KMT2A 2192/4885GAA 1366/4885
US-20120215154-A1 SYNTHESIS OF 2-(4-AMINOPHENYL) BENZOTHIAZOLE DERIVATIVES AND USE THEREOF HCCS, PAH, PPOX MEN1 1027/4885KMT2A 627/4885GAA 2093/4885

“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.