SCHEMBL9710977

SCHEMBL9710977

CCOC(=O)c1cc(N)c(Cl)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
BAZ2A Q9UIF9 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.44
HTR4 Q13639 2/20 0.44
CYP1A2 P05177 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR3A P46098 1/20 0.44

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
SCHEMBL4681116 0.88 CA1 (0.51) ALDH1A1HSD17B10CYP4F2CYP4A11BAZ2B
SCHEMBL30508547 0.88 CA1 (0.51) ALDH1A1HSD17B10CYP4F2CYP4A11BAZ2B
SCHEMBL1966248 0.87 ALDH1A1 (0.54) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL30998146 0.87 CYP4F2 (0.50) ALDH1A1CYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL10918857 0.85 CA1 (0.55) ALDH1A1HSD17B10CYP4F2CYP4A11BAZ2B
SCHEMBL5280799 0.85 CYP4F2 (0.49) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL17930512 0.84 ALDH1A1 (0.51) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL365356 0.82 CYP4F2 (0.49) ALDH1A1CYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL2596428 0.82 ALDH1A1 (0.53) ALDH1A1HSD17B10CA1CA2CA12
SCHEMBL31508307 0.82 GAA (0.61) ALDH1A1HSD17B10GAATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3572401-B1 ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-09-29 EP disclosed
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof Fuijan Cosunter Pharmaceutical Co. Ltd. (CN) 2020-09-29 US disclosed
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed
US-5153316-A Post and preemergence herbicides DOWELANCO 1992-10-06 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 (1 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-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 ALDH1A1 3134/4885HSD17B10 1964/4885CYP4F2 3641/4885

“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.