SCHEMBL12059385

SCHEMBL12059385

Cc1cccc2cnsc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.39
ALDH1A1 P00352 5/20 0.38
CYP2A6 P11509 4/20 0.38
CYP1A2 P05177 5/20 0.33
HDAC4 P56524 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 2/20 0.32
ACHE P22303 1/20 0.32
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
XPO1 O14980 1/20 0.31
SLC22A12 Q96S37 1/20 0.30
CYP3A4 P08684 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
SCHEMBL910839 0.74 KDM4E (0.39) TRPM5ALDH1A1CYP1A2CA1CA2
SCHEMBL658073 0.74 NOS1 (0.39) TRPM5HDAC4CA9
SCHEMBL26420 0.74 TRPM5 (0.45) TRPM5ALDH1A1CYP2A6CYP1A2HDAC4
SCHEMBL5439074 0.74 CYP3A4 (0.39) TRPM5ALDH1A1CYP1A2TSHRHPGD
SCHEMBL8057979 0.74 TRPM5 (0.39) TRPM5HDAC4
SCHEMBL8071753 0.74 TRPM5 (0.39) TRPM5ALDH1A1HDAC4CA9HPGD
SCHEMBL17469029 0.74 TRPM5 (0.39) TRPM5L3MBTL1
SCHEMBL13913279 0.74 GABRA1 (0.39) TRPM5CYP1A2CA1CA2TSHR
SCHEMBL8404490 0.70 SMN1; SMN2 (0.41) ALDH1A1CYP2A6CYP1A2HSD17B10XPO1
SCHEMBL11382202 0.70 ALDH1A1 (0.46) TRPM5ALDH1A1CYP2A6CYP1A2TSHR

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
US-20230172057-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND OPTOELECTRONIC DEVICE WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-06-01 US disclosed
WO-2022132609-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-06-23 WO disclosed
WO-2017201377-A1 SYNTHESIS OF 6-ARYL-4-AMINOPICOLINATES AND 2-ARYL-6-AMINOPYRIMIDINE-4-CARBOXYLATES BY DIRECT SUZUKI COUPLING DOW AGROSCIENCES LLC (US) 2017-11-23 WO disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-9469654-B2 Bicyclic oxa-lactam kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2016-10-18 US disclosed
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-10 US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF WANG SHAOMENG (US) 2011-12-29 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 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 (6 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT TRPM5 4837/4885ALDH1A1 2151/4885CYP2A6 2675/4885
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS SYK, BTK, JAK2 TRPM5 4826/4885ALDH1A1 4320/4885CYP2A6 4118/4885
US-20230172057-A1 HETEROCYCLIC COMPOUND CONTAINING HETEROATOM SUBSTITUTED FLUORENE AND OPTOELECTRONIC DEVICE CHRM1, CHRM2, CHRM4 TRPM5 1788/4885ALDH1A1 3072/4885CYP2A6 399/4885
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS SYK, LCK, BTK TRPM5 1778/4885ALDH1A1 4736/4885CYP2A6 4290/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A TRPM5 823/4885ALDH1A1 2290/4885CYP2A6 1059/4885
US-20110319362-A1 STAT3 LIGANDS AND THERAPEUTIC USES THEREOF STAT3, JAK2, STAT6 TRPM5 4779/4885ALDH1A1 1410/4885CYP2A6 3967/4885

“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.