SCHEMBL8109985

SCHEMBL8109985

Cc1ccc2c(O)cc(=O)[nH]c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 2/20 0.59
GLA P06280 2/20 0.56
GAA P10253 2/20 0.56
HPGD P15428 1/20 0.56
KDM5A P29375 1/20 0.53
DAO P14920 2/20 0.50
DDO Q99489 1/20 0.50
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KIF11 P52732 2/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MPL P40238 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TNKS2 Q9H2K2 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
SCHEMBL9393145 0.89 KDM4E (0.53) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2272868 0.85 ALDH1A1 (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31081977 0.85 ALDH1A1 (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2795205 0.82 KDM4E (0.67) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9155186 0.78 ALDH1A1 (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14796728 0.78 KDM4E (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL8127333 0.78 TP53 (0.66) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL29831055 0.78 KDM4E (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL743131 0.77 KDM4E (0.71) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2268508 0.77 AR (0.61) KDM4EALDH1A1GLAGAAHPGD

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-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 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 (2 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-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR52 KDM4E 2241/4885ALDH1A1 2412/4885GLA 2166/4885
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 KDM4E 2834/4885ALDH1A1 1109/4885GLA 1801/4885

“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.