SCHEMBL6517665

SCHEMBL6517665

C=CCNC(=S)N(CC=C)CC=C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.52
ALDH1A1 P00352 8/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CCR6 P51684 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NSD2 O96028 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL11221384 0.87 GAA (0.46) CYP1A2GAAALDH1A1TSHRL3MBTL1
SCHEMBL11589871 0.81 CYP1A2 (0.48) CYP1A2GAAALDH1A1TSHRL3MBTL1
SCHEMBL4272718 0.79 ALDH1A1 (0.56) CYP1A2GAAALDH1A1TSHRL3MBTL1
SCHEMBL11527916 0.79 CYP1A2 (0.47) CYP1A2GAAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL177202 0.78 CYP1A2 (0.50) CYP1A2GAAALDH1A1TSHRL3MBTL1
SCHEMBL10701424 0.76 CYP1A2 (0.48) CYP1A2GAAALDH1A1TSHRL3MBTL1
SCHEMBL9555565 0.76
SCHEMBL22769175 0.76 ALDH1A1 (0.50) GAAALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL28491839 0.76 CYP1A2 (0.48) CYP1A2GAAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10906551 0.76 GAA (0.47) GAAALDH1A1TSHRL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594608-B1 CHIRAL CATALYSTS FOR ENANTIOSELECTIVE SYNTHESIS RES CORP TECHNOLOGIES INC (US) 1997-10-15 EP claimed
US-10767112-B2 Methods of producing metal sulfides, metal selenides, and metal sulfides/selenides having controlled architectures using kinetic control THE TRUSTEES OF THE COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-08 US disclosed
US-10253256-B2 Use of sulfur and selenium compounds as precursors to nanostructured materials THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-09 US disclosed
US-20170369779-A1 METHODS OF PRODUCING METAL SULFIDES, METAL SELENIDES, AND METAL SULFIDES/SELENIDES HAVING CONTROLLED ARCHITECTURES USING KINETIC CONTROL THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-12-28 US disclosed
US-20160237345-A1 USE OF SULFUR AND SELENIUM COMPOUNDS AS PRECURSORS TO NANOSTRUCTURED MATERIALS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-18 US disclosed
EP-3049370-A1 USE OF SULFUR AND SELENIUM COMPOUNDS AS PRECURSORS TO NANOSTRUCTURED MATERIALS The Trustees of Columbia University in the City of New York (US) 2016-08-03 EP disclosed
US-9114079-B2 Polymerizable dental material comprising reactive paste formers, hardened dental material and use thereof KETTENBACH GMBH & CO. KG (DE) 2015-08-25 US disclosed
US-20130225699-A1 Polymerizable Dental Material Comprising Reactive Paste Formers, Hardened Dental Material and Use Thereof KETTENBACH GMBH & CO. KG (DE) 2013-08-29 US disclosed
US-20050181421-A1 Methods of array synthesis AFFYMETRIX, INC. (US) 2005-08-18 US disclosed
US-6887665-B2 Forming a surface comprising photosensitive compound or group, an autocatalytic compound or group, compound capable of introducing latency irradiating at least a part of surface to remove protective group AFFYMETRIX, INC. (US) 2005-05-03 US disclosed
US-20020022721-A1 Methods of array synthesis AFFYMETRIX, INC. 2002-02-21 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 (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-20020022721-A1 Methods of array synthesis RAC2, RAC3, RAC1 CYP1A2 1623/4885GAA 2536/4885ALDH1A1 2412/4885
US-20130225699-A1 Polymerizable Dental Material Comprising Reactive Paste Formers, Hardened Dental Material and Use Thereof ME1, ME2, ME3 CYP1A2 3020/4885GAA 2873/4885ALDH1A1 233/4885
US-10253256-B2 Use of sulfur and selenium compounds as precursors to nanostructured materials SCLY, TST, SOD1 CYP1A2 1998/4885GAA 1399/4885ALDH1A1 1898/4885
US-20050181421-A1 Methods of array synthesis RAC2, RAC3, RAC1 CYP1A2 1464/4885GAA 2463/4885ALDH1A1 2290/4885

“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.