SCHEMBL1986154

SCHEMBL1986154

COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.74
NPC1 O15118 5/20 0.74
MEN1 O00255 5/20 0.74
RAB9A P51151 4/20 0.72
ALDH1A1 P00352 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
TP53 P04637 1/20 0.72
PKM P14618 1/20 0.72
MAPT P10636 3/20 0.69
LMNA P02545 2/20 0.69
NLRP3 Q96P20 1/20 0.68
TRPV1 Q8NER1 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
TDP1 Q9NUW8 1/20 0.65
HPGD P15428 1/20 0.64

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
SCHEMBL4254145 0.88 MEN1 (0.80) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL4248472 0.88 KMT2A (0.70) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL10055020 0.87 NPC1 (0.94) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1337652 0.87 MAPT (0.77) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL1984342 0.86 KMT2A (0.69) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL13391762 0.86 KMT2A (0.69) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL1337428 0.86 MEN1 (0.76) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL4118579 0.85 KMT2A (0.72) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL4256368 0.84 NPC1 (1.00) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL16494872 0.84 MEN1 (0.81) KMT2ANPC1MEN1RAB9AALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108084096-A 2- phenyl pyrimidine classes compound, preparation method and medical usage 中国药科大学 2018-05-29 CN disclosed
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 US disclosed
EP-3074378-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen Ltd. (AU) 2016-10-05 EP disclosed
CN-105916841-A Functionalised and substituted indoles as anti-cancer agents 诺沃根公司 2016-08-31 CN disclosed
WO-2015074123-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2015-05-28 WO disclosed
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
US-8927584-B2 Synthesis of 2-(4-aminophenyl)benzothiazole derivatives and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2015-01-06 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
EP-2338059-A1 LIGANDS FOR AGGREGATED TAU MOLECULES Wista Laboratories Ltd. (SG) 2011-06-29 EP disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 KMT2A 3452/4885NPC1 1265/4885MEN1 3205/4885
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 KMT2A 2215/4885NPC1 4458/4885MEN1 3325/4885
US-20140046290-A1 SYNTHESIS OF 2-(4-AMINOPHENYL)BENZOTHIAZOLE DERIVATIVES AND USE THEREOF CCNT1, PPOX, TPT1 KMT2A 2192/4885NPC1 1573/4885MEN1 1141/4885

“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.