SCHEMBL507026

SCHEMBL507026

CC(C)c1cccc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
PTGS1 P23219 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
AR P10275 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL7072552 0.89 PTGS1 (0.44) PTGS1MEN1KMT2ACYP2D6MAPT
SCHEMBL22889052 0.88 CYP19A1 (0.45) CYP19A1PTGS1MEN1KMT2ACYP2D6
SCHEMBL123764 0.86 PTGS1 (0.58) PTGS1MEN1KMT2ACYP2D6MAPT
SCHEMBL11169101 0.84 CYP19A1 (0.47) CYP19A1PTGS1MEN1KMT2ACYP2D6
SCHEMBL15472272 0.84 MAPT (0.50) CYP19A1MEN1KMT2AMAPTHPGD
SCHEMBL8636829 0.83 PTGS1 (0.54) PTGS1MEN1KMT2ACYP2D6MAPT
SCHEMBL5827966 0.83 PARP15 (0.49) CYP19A1MEN1KMT2AMAPTHPGD
SCHEMBL16310204 0.83 CYP19A1 (0.54) CYP19A1PTGS1MEN1KMT2ACYP2D6
SCHEMBL10927383 0.82 CYP19A1 (0.59) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL11063307 0.82 PTGS1 (0.56) PTGS1MEN1KMT2ACYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 US disclosed
WO-2017036405-A1 COMPOUND HAVING PROTEIN TYROSINE PHOSPHATASE SHP-1 AGONIST ACTIVITY 陈昆锋 2017-03-09 WO disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
US-7153875-B2 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE SAN DIEGO (US) 2006-12-26 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
EP-1385465-A4 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES INCYTE SAN DIEGO INC (US) 2005-09-07 EP disclosed
EP-1385465-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES Incyte San Diego, Inc. (US) 2004-02-04 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US disclosed
WO-2002072009-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 WO disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 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 (4 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 CYP19A1 471/4885PTGS1 3434/4885MEN1 3996/4885
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases CCNY, HRAS, AHR CYP19A1 468/4885PTGS1 2411/4885MEN1 1848/4885
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE AAAS, PROC, AADAC CYP19A1 2456/4885PTGS1 1090/4885MEN1 3636/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CYP19A1 433/4885PTGS1 2116/4885MEN1 3801/4885

“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.