SCHEMBL5333036

SCHEMBL5333036

Brc1ccc2c(c1)C=CCN2

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.32
CES1 P23141 1/20 0.32
HTR2C P28335 1/20 0.32
BRD4 O60885 1/20 0.32
AHR P35869 2/20 0.32
CMA1 P23946 1/20 0.32
PARP10 Q53GL7 2/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
PARP11 Q9NR21 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL1199069 0.81 TGM2 (0.31) TGM2CES1HTR2CBRD4AHR
SCHEMBL3910092 0.79 BRD4 (0.37) TGM2CES1BRD4AHRCMA1
SCHEMBL2194416 0.76 KDM4E (0.32) CA12CA2CA9
SCHEMBL30695309 0.76 HTR5A (0.33) HTR2CAHRPARP10PARP1
SCHEMBL1257327 0.76 AHR (0.35) TGM2CES1HTR2CAHRCMA1
SCHEMBL8469855 0.76 ALDH1A1 (0.34) PARP10PARP11PARP1
SCHEMBL9453911 0.76 DRD2 (0.41) CA12CA2CA9
SCHEMBL3503657 0.73 CYP2A6 (0.38)
SCHEMBL4366398 0.72 PDE3B (0.41) CA12CA2CA9
SCHEMBL3503655 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865883-A Preparation method of 6-bromoquinoline 常州琦诺生物科技有限公司 2024-04-12 CN disclosed
US-20180002295-A1 Compositions and Methods for Treating Anxiety and Compulsive Behavior UNIV IOWA RES FOUND (US) 2018-01-04 US disclosed
WO-2016118952-A1 COMPOSITIONS AND METHODS FOR TREATING ANXIETY AND COMPULSIVE BEHAVIOR UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-07-28 WO disclosed
US-20070265449-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. 2007-11-15 US disclosed
US-7166726-B2 Aryl substituted 3,4-dihydroanthracene derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. (US) 2007-01-23 US disclosed
US-20030130515-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity ALLERGAN, INC. 2003-07-10 US disclosed
EP-0948478-B1 ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO[1,2-g]-CHROM-3-ENE, BENZO[1,2-g]-THIOCHROM-3-ENE AND BENZO[1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2002-04-10 EP disclosed
US-6087505-A Benzo[1,2-G]-chrom-3-ene, and benzo[1,2-G]-thiochrom-3-ene derivatives ALLERGAN SALES, INC. (US) 2000-07-11 US disclosed
US-5728846-A RETENOIDS, RETINOID ACTIVITY; AGONISTS, ANTAGONISTS ALLERGAN (US) 1998-03-17 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 (3 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-20070265449-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity RXRG, RARG, NR2E3 TGM2 1251/4885CES1 1047/4885HTR2C 323/4885
US-20030130515-A1 Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity RXRG, NR2E3, RARG TGM2 1306/4885CES1 709/4885HTR2C 360/4885
US-20180002295-A1 Compositions and Methods for Treating Anxiety and Compulsive Behavior HCRTR1, CHAT, CRH TGM2 1180/4885CES1 2385/4885HTR2C 11/4885

“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.