SCHEMBL3944802

SCHEMBL3944802

O=C(O)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
ALDH1A1 P00352 5/20 0.67
POLB P06746 1/20 0.67
PKM P14618 1/20 0.67
NPY1R P25929 1/20 0.67
NPY2R P49146 1/20 0.67
FASN P49327 1/20 0.63
KDM4E B2RXH2 4/20 0.63
HPGD P15428 3/20 0.63
MAP2 P11137 2/20 0.63
HTT P42858 1/20 0.63
GFER P55789 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
GPR35 Q9HC97 1/20 0.58
FBP1 P09467 1/20 0.55
GAA P10253 1/20 0.53

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
SCHEMBL18092674 0.90 MAPT (0.81) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL18102160 0.90 MAPT (0.81) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL18092657 0.90 MAPT (0.81) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL18092632 0.86 MAPT (0.76) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL18102164 0.86 MAPT (0.76) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL18092686 0.86 MEN1 (0.79) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL18104687 0.86 MEN1 (1.00) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4933867 0.85 MEN1 (0.77) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL7594636 0.84 MEN1 (0.73) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4893031 0.83 MAPT (0.71) MAPTMEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105140-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-05 US claimed
WO-2002102301-A2 SUBSTITUTED INDOLE-2-CARBOXYLIC ACID BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-12-27 WO claimed
US-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-09-12 US claimed
US-10859585-B2 Lipid probes and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-08 US disclosed
US-20190293666-A1 LIPID PROBES AND USES THEREOF SCRIPPS RESEARCH INST (US) 2019-09-26 US disclosed
US-10168342-B2 Lipid probes and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 US disclosed
EP-3274712-A1 LIPID PROBES AND USES THEREOF The Scripps Research Institute (US) 2018-01-31 EP disclosed
WO-2016160544-A1 LIPID PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-06 WO disclosed
WO-2016160544-A1 LIPID PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-06 WO disclosed
US-20160282369-A1 LIPID PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-09-29 US disclosed
US-20160282369-A1 LIPID PROBES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-09-29 US disclosed
WO-2006032541-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-30 WO disclosed
US-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins PIERRE FABRE MEDICAMENT (FR) 2004-10-14 US disclosed
US-6747052-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-06-08 US disclosed
US-20030105140-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-05 US disclosed
WO-2002102301-A2 SUBSTITUTED INDOLE-2-CARBOXYLIC ACID BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-12-27 WO disclosed
US-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-09-12 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4317682-A A SULFONAMIDE AND AMINE-CONTAINING AROMATIC POLYCYCLIC COMPOUND AS FLOW CONTROL AGENTS IN PRINTING INKS AND PAINTS; STORAGE STABILITY TOYO INK MANUFACTURING CO. LTD. (JP) 1982-03-02 US 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-20020128292-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof BAD, API5, CASP2 MAPT 4140/4885MEN1 2427/4885KMT2A 2064/4885
US-20030105140-A1 Substituted indole-2-carboxylic acid benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof BAD, API5, CASP2 MAPT 4140/4885MEN1 2427/4885KMT2A 2064/4885
US-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins CBR1, CBR3, HCCS MAPT 4605/4885MEN1 4758/4885KMT2A 3494/4885

“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.