SCHEMBL2662792

SCHEMBL2662792

Cc1cc(CF)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.41
▸ MCL1 Q07820 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ PTPN7 P35236 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ PNMT P11086 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ CD44 P16070 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ RAPGEF4 Q8WZA2 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL9073026 0.82 CYP3A4 (0.46) S1PR1IDO1PNMTSMN1; SMN2RAPGEF4
SCHEMBL1291043 0.79 TTR (0.40) S1PR1MCL1IDO1PTPN7DUSP3
SCHEMBL12643 0.79 TRPA1 (0.43) S1PR1MCL1IDO1PTPN7DUSP3
P-Xylene SCHEMBL28217852 0.78 IDO1 (0.38) S1PR1IDO1KMT2ASMN1; SMN2CD44
SCHEMBL2622769 0.78 ALDH1A1 (0.40) ESR1ESR2KMT2APTGS1PTGS2
SCHEMBL9788481 0.78 IDO1 (0.58) IDO1PNMTSMN1; SMN2TAAR1
SCHEMBL3753927 0.77 S1PR1 (0.38) S1PR1MCL1IDO1PTPN7DUSP3
SCHEMBL93063 0.77 S1PR1 (0.51) S1PR1MCL1PTPN7DUSP3ESR1
SCHEMBL3128100 0.77 CSNK2A1 (0.47) S1PR1PNMTKMT2ASMN1; SMN2CD44
SCHEMBL583557 0.77 CYP4F2 (0.50) S1PR1MCL1IDO1PTPN7DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088548-A1 PYRAZOLOPYRIDINE SULFONAMIDES AS NEMATICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-30 — — US disclosed
US-9382232-B2 Quinoline and cinnoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-07-05 — — US disclosed
US-20160083358-A1 COMPOSITIONS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA FRATAGENE THERAPEUTICS S.R.L. (IT) 2016-03-24 — — US disclosed
US-20140364431-A1 Quinoline and cinnoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2014-12-11 — — US disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 — — WO 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-20170088548-A1 PYRAZOLOPYRIDINE SULFONAMIDES AS NEMATICIDES NISCH, CATSPER1, KCNH1 S1PR1 1111/4885MCL1 1832/4885IDO1 2759/4885
US-20140364431-A1 Quinoline and cinnoline derivatives and their applications MET, CHEK1, KIT S1PR1 2124/4885MCL1 499/4885IDO1 3631/4885
US-20160083358-A1 COMPOSITIONS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA ATXN10, ATXN2, ATXN2L S1PR1 4394/4885MCL1 1020/4885IDO1 4090/4885

“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.

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