SCHEMBL3182706

SCHEMBL3182706

c1ccc(CCSc2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.57
KMT2A Q03164 1/20 0.57
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
HIF1A Q16665 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
EHMT2 Q96KQ7 1/20 0.52
EHMT1 Q9H9B1 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL400161 0.83 POLB (0.70) ALDH1A1MAPTKMT2ANPC1RAB9A
Bromide SCHEMBL27289520 0.82 POLB (0.68) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL7208033 0.81 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL26313414 0.81 NOS1 (0.63) ALDH1A1MAPTKMT2ACYP3A4CYP2D6
SCHEMBL317308 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL4686394 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL5185156 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL4686390 0.79 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL2077935 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL5020551 0.79 ALDH1A1 (0.58) ALDH1A1MAPTKMT2ANPC1RAB9A

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-111559976-B Synthetic method of heteroaryl thioether 扬州大学 2022-05-13 CN disclosed
CN-111559976-A Synthetic method of heteroaryl thioether 扬州大学 2020-08-21 CN disclosed
CN-110300578-A For treating the compound of ox or porcine respiratory disease 英特维特国际股份有限公司 2019-10-01 CN disclosed
US-10178875-B2 Methods of modifying or imparting taste using organic compounds GIVAUDAN S.A. (CH) 2019-01-15 US disclosed
US-20160366922-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-12-22 US disclosed
US-20160366922-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2016-12-22 US disclosed
WO-2015000900-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2015-01-08 WO disclosed
US-20100022589-A1 PYRIDINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE FOR INHIBITING 11-BETA-HYDROXYSTEROID DEHYDROGENASE MCCOULL WILLIAM 2010-01-28 US disclosed
JP-2000351767-A PRODUCTION OF THIOETHER AND THIOL SANKYO CO LTD 2000-12-19 JP 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-10178875-B2 Methods of modifying or imparting taste using organic compounds TAS2R8, OR10J3, TAS2R7 ALDH1A1 1202/4885MAPT 2725/4885KMT2A 2939/4885
US-20100022589-A1 PYRIDINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE FOR INHIBITING 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD3B2 ALDH1A1 130/4885MAPT 3511/4885KMT2A 1803/4885
US-20160366922-A1 ORGANIC COMPOUNDS OR10J3, TAS2R8, OR51E2 ALDH1A1 1031/4885MAPT 2022/4885KMT2A 2536/4885

“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.