SCHEMBL4088198

SCHEMBL4088198

Nc1cccc2ccc(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TSHR P16473 5/20 0.54
CYP3A4 P08684 4/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 3/20 0.54
KEAP1 Q14145 1/20 0.54
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
PLAT P00750 1/20 0.53
KLK1 P06870 1/20 0.53
PRSS1 P07477 1/20 0.53
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TDP2 O95551 1/20 0.50
CASP6 P55212 1/20 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
Hydrochloric Acid SCHEMBL31178856 0.98 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL4083992 0.83 CYP3A4 (0.54) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL31179229 0.83 CYP3A4 (0.54) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL29498396 0.77 CTDSP1 (0.63) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL29405526 0.77 CTDSP1 (0.63) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL729842 0.77 CTDSP1 (0.63) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL30366567 0.77 CYP2A6 (0.58) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL6561452 0.77 CYP2A6 (0.58) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL29351158 0.76 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4HPGDHSD17B10
SCHEMBL5545202 0.76 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4HPGDHSD17B10

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106467476-A A kind of synthetic method of left-handed amine compound 王际菊 2017-03-01 CN claimed
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed
WO-2022258057-A1 COMPOUNDS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2022-12-15 WO disclosed
US-10793584-B2 Naphthobischalcogenadiazole derivative and production method therefor OSAKA UNIVERSITY (JP) 2020-10-06 US disclosed
US-20190337966-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR OSAKA UNIVERSITY (JP) 2019-11-07 US disclosed
US-10398679-B2 Treatment method utilizing pyrrolidine-2, 5-dione derivatives as IDO1 inhibitors ITEOS THERAPEUTICS (BE) 2019-09-03 US disclosed
US-10398679-B2 Treatment method utilizing pyrrolidine-2, 5-dione derivatives as IDO1 inhibitors ITEOS THERAPEUTICS (BE) 2019-09-03 US disclosed
CN-106536480-B Pyrrolidine-2, 5-dione derivatives, pharmaceutical compositions and methods for use as IDO1 inhibitors 艾特奥斯治疗公司 2019-09-03 CN disclosed
US-20180214415-A1 TREATMENT METHOD UTILIZING PYRROLIDINE-2, 5-DIONE DERIVATIVES AS IDO1 INHIBITORS ITEOS THERAPEUTICS (BE) 2018-08-02 US disclosed
US-20180214415-A1 TREATMENT METHOD UTILIZING PYRROLIDINE-2, 5-DIONE DERIVATIVES AS IDO1 INHIBITORS ITEOS THERAPEUTICS (BE) 2018-08-02 US disclosed
CN-106467476-A A kind of synthetic method of left-handed amine compound 王际菊 2017-03-01 CN disclosed
US-20170035731-A1 PYRROLIDINE-2, 5-DIONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE AS IDO1 INHIBITORS ITEOS THERAPEUTICS (BE) 2017-02-09 US disclosed
US-20170035731-A1 PYRROLIDINE-2, 5-DIONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE AS IDO1 INHIBITORS ITEOS THERAPEUTICS (BE) 2017-02-09 US disclosed
US-20150329525-A1 PYRROLIDINE-2, 5-DIONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE AS IDO1 INHIBITORS ITEOS THERAPEUTICS (BE) 2015-11-19 US disclosed
WO-2015173764-A1 PYRROLIDINE-2,5-DIONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE AS IDO1 INHIBITORS ITEOS THERAPEUTICS (BE) 2015-11-19 WO disclosed
CN-1863784-B 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO 2010-11-17 CN disclosed
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
CN-1863784-A 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO (JP) 2006-11-15 CN disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP 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 (7 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-10793584-B2 Naphthobischalcogenadiazole derivative and production method therefor CYP24A1, CYP26B1, CYP21A2 ALDH1A1 600/4885TSHR 1397/4885CYP3A4 389/4885
US-20190337966-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR CYP24A1, CYP26B1, CYP21A2 ALDH1A1 600/4885TSHR 1397/4885CYP3A4 389/4885
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 ALDH1A1 1571/4885TSHR 440/4885CYP3A4 95/4885
US-20170035731-A1 PYRROLIDINE-2, 5-DIONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE AS IDO1 INHIBITORS IDO1, IDO2, ARG1 ALDH1A1 357/4885TSHR 4401/4885CYP3A4 905/4885
US-20150329525-A1 PYRROLIDINE-2, 5-DIONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE AS IDO1 INHIBITORS IDO1, IDO2, ARG1 ALDH1A1 212/4885TSHR 4368/4885CYP3A4 437/4885
US-20180214415-A1 TREATMENT METHOD UTILIZING PYRROLIDINE-2, 5-DIONE DERIVATIVES AS IDO1 INHIBITORS IDO1, IDO2, NAT1 ALDH1A1 241/4885TSHR 4356/4885CYP3A4 910/4885
US-10398679-B2 Treatment method utilizing pyrrolidine-2, 5-dione derivatives as IDO1 inhibitors IDO1, IDO2, NAT1 ALDH1A1 241/4885TSHR 4356/4885CYP3A4 910/4885

“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.