SCHEMBL1854848

SCHEMBL1854848

COC(=O)c1cc2c(cc1C(=O)OC)COc1cc(C#N)c(C#N)cc1OC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 1/20 0.41
MAPT P10636 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL20740113 0.79 KDM4E (0.49) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL12662967 0.70 KDM4E (0.39) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL7377635 0.70 KDM4E (0.61) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL23043990 0.68 GAA (0.53) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL24362442 0.68 MAPT (0.44) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL9310363 0.67 KDM4E (0.41) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL29760402 0.67 KDM4E (0.50) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL23044085 0.67 KDM4E (0.50) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL12488868 0.65 GAA (0.56) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL11255716 0.65 GAA (0.49) KDM4EALDH1A1GAAKMT2AMAPT

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
US-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST F2R, F2RL1, F2RL3 KDM4E 4723/4885ALDH1A1 1921/4885GAA 4443/4885

“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.