SCHEMBL4568032

SCHEMBL4568032

COc1ccc2cc(C(C)C)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
FLT3 P36888 6/20 0.48
PDGFRB P09619 3/20 0.48
PDGFRA P16234 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.47
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
GFER P55789 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
ITK Q08881 3/20 0.44

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
SCHEMBL12356941 0.86 AXL (0.61) CA2MEN1KMT2APOLBFLT3
SCHEMBL30176381 0.86 AXL (0.61) CA2MEN1KMT2APOLBFLT3
SCHEMBL4568033 0.83 CA2 (0.47) CA2MEN1KMT2APOLBMAPK1
SCHEMBL25723808 0.80 SCN10A (0.49) KMT2AKDM4EMAPT
SCHEMBL24076590 0.79 CA12 (0.42) CA2MEN1KMT2ANPC1RAB9A
SCHEMBL435522 0.76 AXL (0.72) CA2MEN1KMT2APOLBMAPK1
SCHEMBL2756054 0.76 EIF4A3 (0.57) FLT3KDM4EMAPTALDH1A1AURKA
SCHEMBL23932577 0.76 CA2 (0.56) CA2MEN1KMT2APOLBMAPK1
SCHEMBL10140810 0.76 DAO (0.49) MEN1KMT2AFLT3CYP1A2CYP2A6
SCHEMBL4568035 0.75 MTNR1A (0.53) CA2MEN1KMT2APOLBMAPK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT TRINEURO (KR) 2023-07-06 US disclosed
WO-2021241982-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2021-12-02 WO disclosed
US-11072598-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-07-27 US disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20130338158-A1 6-SUBSTITUTED INDOLE-3-CARBOXYLIC ACID AMIDE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2013-12-19 US disclosed
US-8524917-B2 6-substituted indole-3-carboxylic acid amide compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-8524917-B2 6-substituted indole-3-carboxylic acid amide compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-8524917-B2 6-substituted indole-3-carboxylic acid amide compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2013-09-03 US disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis ALLERGAN, INC. 2008-07-17 US disclosed
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis ALLERGAN, INC. 2008-07-17 US disclosed
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis ALLERGAN, INC. 2008-07-17 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 (5 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CA2 731/4885MEN1 2993/4885KMT2A 2056/4885
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis PTGIR, S1PR1, TBXA2R CA2 2089/4885MEN1 2449/4885KMT2A 2192/4885
US-20130338158-A1 6-SUBSTITUTED INDOLE-3-CARBOXYLIC ACID AMIDE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY S1PR1, S1PR3, S1PR2 CA2 1121/4885MEN1 3404/4885KMT2A 3421/4885
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT HTR5A, HTR2C, TPH1 CA2 4780/4885MEN1 2231/4885KMT2A 2075/4885
US-11072598-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 CA2 704/4885MEN1 110/4885KMT2A 4607/4885

“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.