SCHEMBL2651780

SCHEMBL2651780

NN=Cc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 2/20 0.46
PLEC Q15149 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B3 P37058 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD11B1 P28845 1/20 0.43
MAPT P10636 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAOB P27338 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL1594961 0.82 ALDH1A1 (0.58) ALDH1A1NPSR1POLBPLECCTDSP1
SCHEMBL1594957 0.82 ALDH1A1 (0.58) ALDH1A1NPSR1POLBPLECCTDSP1
SCHEMBL22925042 0.78 ALDH1A1 (0.54) ALDH1A1NPSR1POLBPLECCTDSP1
SCHEMBL20288371 0.78 NPSR1 (0.58) ALDH1A1NPSR1POLBPLECCTDSP1
SCHEMBL2160781 0.78 ALDH1A1 (0.54) ALDH1A1NPSR1POLBPLECCTDSP1
SCHEMBL5110843 0.78 ALDH1A1 (0.54) ALDH1A1NPSR1POLBPLECCTDSP1
SCHEMBL2160777 0.78 ALDH1A1 (0.54) ALDH1A1NPSR1POLBPLECCTDSP1
SCHEMBL11957621 0.76 CYP19A1 (0.54) ALDH1A1NPSR1TDP1MAPTCYP1A2
SCHEMBL28618284 0.75 ALDH1A1 (0.50) ALDH1A1NPSR1POLBPLECCTDSP1
SCHEMBL23837623 0.74 GFER (0.55) ALDH1A1NPSR1GAAMAPTLMNA

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 10 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-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 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-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO 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 144/4885NPSR1 1436/4885POLB 4305/4885
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 144/4885NPSR1 1436/4885POLB 4305/4885

“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.