SCHEMBL6846629

SCHEMBL6846629

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.73
MAPT P10636 8/20 0.73
KDM4E B2RXH2 6/20 0.73
GAA P10253 2/20 0.73
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
HPGD P15428 4/20 0.69
MAP2 P11137 4/20 0.69
HTT P42858 1/20 0.69
GFER P55789 1/20 0.69
HSD17B10 Q99714 1/20 0.69
GPR35 Q9HC97 1/20 0.64
LMNA P02545 5/20 0.62
NPSR1 Q6W5P4 2/20 0.61
MAPK1 P28482 1/20 0.61
PAX8 Q06710 2/20 0.58
PRNP P04156 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL7560999 0.85 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL20570856 0.84 MAP2 (0.73) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL4710260 0.82 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL6614826 0.82 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL215691 0.82 MAP2 (0.79) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL42364 0.82 MAP2 (1.00) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL3107289 0.82 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL7530066 0.82 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL3091466 0.80 KDM4E (1.00) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL16112039 0.79 MEN1 (0.76) ALDH1A1MAPTKDM4EGAAMEN1

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 7 patents. 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-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

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-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 ALDH1A1 144/4885MAPT 4140/4885KDM4E 2887/4885
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 ALDH1A1 144/4885MAPT 4140/4885KDM4E 2887/4885

“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.