SCHEMBL3107289

SCHEMBL3107289

Cc1ccc2[nH]c(C(=O)O)c(-c3ccccc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
HPGD P15428 4/20 1.00
KDM4E B2RXH2 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
HSD17B10 Q99714 3/20 1.00
HTT P42858 2/20 1.00
GFER P55789 1/20 1.00
MAP2 P11137 4/20 0.69
GPR35 Q9HC97 1/20 0.64
MAPT P10636 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
PADI4 Q9UM07 2/20 0.61
GAA P10253 1/20 0.60
PIM1 P11309 1/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
RPA1 P27694 1/20 0.55
MCL1 Q07820 1/20 0.55
CYP1A2 P05177 1/20 0.54

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
SCHEMBL18919762 0.87 ALDH1A1 (0.77) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6842213 0.85 MEN1 (0.73) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL20570856 0.84 MAP2 (0.73) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6848791 0.84 ALDH1A1 (0.78) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL27813582 0.82 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6614826 0.82 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL215691 0.82 MAP2 (0.79) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6846629 0.82 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL42364 0.82 MAP2 (1.00) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL24278674 0.81 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EMEN1KMT2A

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 17 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-8071622-B2 1-[1-(6-Methoxy-1H-indole-2-carbonyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-7799923-B2 Vasopressin receptor antagonists; (4-Benzotriazol-1-yl-piperidin-1-yl)-(5-chloro-1H-indol-2-yl)-methanone; antidepressants, anxiolytic agents; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
EP-2089381-B1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
CN-101541786-A Indoles as V1a receptor antagonists HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
EP-2089381-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-08-19 EP disclosed
US-20080269290-A1 Indoles F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
US-20080139618-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 US disclosed
WO-2008068184-A1 INDOLES WHICH ACT AS VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
US-20080139548-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139617-A1 INDOLES HOFFMAN-LA ROCHE INC. 2008-06-12 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 144/4885HPGD 516/4885KDM4E 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 144/4885HPGD 516/4885KDM4E 2887/4885
US-20080139548-A1 INDOLES HTR1A, AVPR1A, TPH1 ALDH1A1 397/4885HPGD 1713/4885KDM4E 1393/4885
US-20080139617-A1 INDOLES HTR1A, AVPR1A, TPH1 ALDH1A1 397/4885HPGD 1713/4885KDM4E 1393/4885
US-20080269290-A1 Indoles HTR1A, AVPR1A, TPH1 ALDH1A1 397/4885HPGD 1713/4885KDM4E 1393/4885
US-20080139618-A1 INDOLES HTR1A, AVPR1A, TPH1 ALDH1A1 397/4885HPGD 1713/4885KDM4E 1393/4885

“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.