SCHEMBL3080757

SCHEMBL3080757

Cc1ccc2c(c1Cl)NC(=O)C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 12/20 0.67
DAO P14920 2/20 0.56
BCHE P06276 2/20 0.52
NSD2 O96028 2/20 0.52
DNMT1 P26358 1/20 0.43
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
LIG1 P18858 1/20 0.40
TGM2 P21980 1/20 0.39
CASP3 P42574 1/20 0.36
CASP2 P42575 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
TDP2 O95551 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PAX8 Q06710 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AGTR1 P30556 1/20 0.36

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
SCHEMBL29689423 0.81 CES1 (0.67) CES1DAOBCHENSD2DNMT1
SCHEMBL1248801 0.80 CES1 (1.00) CES1DAOBCHENSD2DNMT1
SCHEMBL2892415 0.80 CES1 (0.67) CES1DAOBCHENSD2DNMT1
SCHEMBL3093497 0.77 DAO (0.56) CES1DAOBCHENSD2DNMT1
SCHEMBL3096093 0.77 DAO (0.56) CES1DAOBCHENSD2DNMT1
SCHEMBL951629 0.77 CES1 (1.00) CES1DAOBCHENSD2DNMT1
SCHEMBL16647187 0.77 CES1 (0.67) CES1DAOBCHENSD2DNMT1
SCHEMBL313120 0.77 CES1 (0.61) CES1DAOBCHENSD2DNMT1
SCHEMBL4363644 0.74 DAO (0.53) CES1DAOBCHENSD2ALDH1A1
SCHEMBL3088689 0.72 DAO (1.00) CES1DAOBCHENSD2ALDH1A1

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-3636639-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2020-04-15 EP disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
EP-2139856-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS Topotarget A/S (DK) 2010-01-06 EP disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 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 (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-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TPH2, TPH1, HTR2C CES1 3688/4885DAO 1360/4885BCHE 3124/4885

“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.