SCHEMBL617619

SCHEMBL617619

Cc1ccc2c(c1)C(=NO)CC1(CCC1)O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
ATM Q13315 3/20 0.58
HTT P42858 1/20 0.58
RAD52 P43351 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 1/20 0.39
HPGD P15428 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
EGFR P00533 1/20 0.34
BRAF P15056 1/20 0.34
LMNA P02545 1/20 0.34
HDAC3 O15379 2/20 0.34

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
SCHEMBL617618 1.00 KDM4E (0.59) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL617134 0.89 KDM4E (0.49) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL617133 0.89 KDM4E (0.49) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL617980 0.84 KMT2A (0.44) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL617981 0.84 KMT2A (0.44) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL620252 0.83 HSD11B1 (0.44) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL3806112 0.83 EGFR (0.46) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL3806115 0.83 EGFR (0.46) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL620251 0.83 HSD11B1 (0.44) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL621021 0.82 KDM4E (0.44) KDM4EATMHTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931681-B1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS SA (CH) 2012-11-14 EP disclosed
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-01 US disclosed
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-01-27 US disclosed
US-7842703-B2 Substituted benzofused derivatives and their use as vanilloid receptor ligands GLENMARK PHARMACEUTICALS S.A. (CH) 2010-11-30 US disclosed
US-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-10-30 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 (4 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-20080269253-A1 Substituted Benzofused Derivatives and Their Use as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV6 KDM4E 2842/4885ATM 3827/4885HTT 3509/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2871/4885ATM 3850/4885HTT 3060/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2871/4885ATM 3850/4885HTT 3060/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 KDM4E 2842/4885ATM 3827/4885HTT 3509/4885

“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.