SCHEMBL62645

SCHEMBL62645

Nc1ccc(-c2ccc(S)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
CYP3A4 P08684 5/20 0.69
TDP1 Q9NUW8 3/20 0.69
TP53 P04637 2/20 0.69
HSD17B10 Q99714 4/20 0.55
TAAR1 Q96RJ0 3/20 0.55
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KIF11 P52732 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CA14 Q9ULX7 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 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
SCHEMBL28276097 0.90 MEN1 (0.61) ALDH1A1CYP3A4TDP1TP53HSD17B10
SCHEMBL49836 0.90
Methane SCHEMBL747668 0.87
SCHEMBL8219033 0.87
Hydrochloric Acid SCHEMBL28190746 0.87
SCHEMBL5316147 0.87
SCHEMBL28315486 0.87
Benzene SCHEMBL21624953 0.84 MAPT (0.53) ALDH1A1CYP3A4TDP1TP53HSD17B10
Benzene SCHEMBL27034677 0.84 MAPT (0.53) ALDH1A1CYP3A4TDP1TP53HSD17B10
SCHEMBL967694 0.83 IDO1 (0.50) ALDH1A1CYP3A4TDP1TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023149761-A1 ORGANIC MOLECULES USABLE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-10 WO disclosed
US-20210036235-A1 ORGANIC MOLECULES IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-04 US disclosed
CN-107607516-A A kind of chemical sensor of Raman enhancing and preparation method thereof 电子科技大学 2018-01-19 CN disclosed
US-9212200-B2 Nanostructure having metal nanoparticles and method of assembly thereof BAE SYSTEMS INFORMATION AND ELECTRONIC SYSTEMS INTEGRATION INC. (US) 2015-12-15 US disclosed
US-20140135516-A1 Nanostructure having metal nanoparticles and method of assembly thereof . 2014-05-15 US disclosed
EP-2330159-B1 ELECTRET AND ELECTROSTATIC INDUCTION CONVERSION DEVICE ASAHI GLASS CO LTD (JP) 2013-04-24 EP disclosed
EP-1699403-B1 GECKO-LIKE FASTENERS FOR DISPOSABLE ARTICLES KIMBERLY CLARK CO (US) 2012-08-15 EP disclosed
US-8129869-B2 Electret and electrostatic induction conversion device ASAHI GLASS COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20110166299-A1 ELECTRET AND ELECTROSTATIC INDUCTION CONVERSION DEVICE ASAHI GLASS COMPANY, LIMITED 2011-07-07 US disclosed
EP-2330159-A1 ELECTRET AND ELECTROSTATIC INDUCTION CONVERSION DEVICE Asahi Glass Company Limited (JP) 2011-06-08 EP disclosed
US-7790724-B2 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
US-3940371-A HYDROLYTIC AND CHEMICAL STABILITY CASE LESLIE C 1976-02-24 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 (1 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-20210036235-A1 ORGANIC MOLECULES IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES TRMT1, TRMT1L, DNTT ALDH1A1 1237/4885CYP3A4 3106/4885TDP1 1450/4885

“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.