SCHEMBL4614746

SCHEMBL4614746

Ic1ccc2c([nH]c3ccccc32)c1I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.55
GABRP O00591 3/20 0.53
GABRD O14764 3/20 0.53
GABRA1 P14867 3/20 0.53
GABRB1 P18505 3/20 0.53
GABRG2 P18507 3/20 0.53
GABRB3 P28472 3/20 0.53
GABRA5 P31644 3/20 0.53
GABRA3 P34903 3/20 0.53
GABRA2 P47869 3/20 0.53
GABRB2 P47870 3/20 0.53
GABRA4 P48169 3/20 0.53
GABRE P78334 3/20 0.53
GABRA6 Q16445 3/20 0.53
GABRG1 Q8N1C3 3/20 0.53
GABRG3 Q99928 3/20 0.53
GABRQ Q9UN88 3/20 0.53
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 3/20 0.50
GPR3 P46089 2/20 0.50

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
SCHEMBL13563976 0.80 KIF11 (0.78) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL191347 0.80 KIF11 (0.71) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL29378455 0.80 KIF11 (0.71) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL28728484 0.79 ESR1 (0.56) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL29754924 0.79 KIF11 (0.59) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL3413882 0.79 KIF11 (0.59) KIF11GABRPGABRDGABRA1GABRB1
Iodide SCHEMBL23782008 0.78 KIF11 (0.57) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL9502784 0.77 KIF11 (0.47) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL11152059 0.76 KIF11 (0.55) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL23728995 0.73 KIF11 (0.52) KIF11GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110300921-B Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element using same 日产化学株式会社 2022-08-09 CN disclosed
US-10403445-B2 Synthons for developing organic semiconductors UNIVERSITÉ DE TOURS (FR) 2019-09-03 US disclosed
US-20170213652-A1 NOVEL SYNTHONS FOR DEVELOPING ORGANIC SEMICONDUCTORS UNIVERSITÉ DE TOURS (FR) 2017-07-27 US disclosed
EP-3174850-A1 NOVEL SYNTHONS FOR DEVELOPING ORGANIC SEMICONDUCTORS Université de Tours Francois Rabelais (FR) 2017-06-07 EP disclosed
CN-102666547-B Nitrogen-containing aromatic compound and metal complex SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-05-04 CN disclosed
WO-2016016221-A1 NOVEL SYNTHONS FOR DEVELOPING ORGANIC SEMICONDUCTORS UNIVERSITE DE TOURS FRANCOIS-RABELAIS (FR) 2016-02-04 WO disclosed
CN-102666547-A Nitrogen-containing aromatic compound and metal complex SUMITOMO CHEMICAL CO 2012-09-12 CN disclosed
EP-1520846-B1 Method for producing polymerized hydrocarbon JFE CHEMICAL CORP (JP) 2008-03-05 EP disclosed
US-7138484-B2 Method for producing polymerized hydrocarbon JFE CHEMICAL CORPORATION (JP) 2006-11-21 US disclosed
US-20050075478-A1 Method for producing polymerized hydrocarbon JFE CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
EP-1520846-A1 Method for producing polymerized hydrocarbon JFE Chemical Corporation (JP) 2005-04-06 EP disclosed
US-5130412-A Electrochemical drug release and article SOUTHWEST RESEARCH INSTITUTE (US) 1992-07-14 US disclosed
US-4994023-A Electrochemical drug release and article SOUTHWEST RESEARCH INSTITUTE 1991-02-19 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 (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-20170213652-A1 NOVEL SYNTHONS FOR DEVELOPING ORGANIC SEMICONDUCTORS NES, NCL, CDK6 KIF11 938/4885GABRP 3761/4885GABRD 3374/4885
US-10403445-B2 Synthons for developing organic semiconductors NES, NCL, PCNA KIF11 1056/4885GABRP 3307/4885GABRD 2956/4885

“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.