SCHEMBL5096483

SCHEMBL5096483

COc1ccc(CCn2c(NC(=O)c3ccc(F)cc3)nc3cc(C(F)(F)F)ccc32)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.60
SUV39H1 O43463 1/20 0.60
PRMT1 Q99873 1/20 0.60
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
OPRK1 P41145 2/20 0.49
POLB P06746 1/20 0.49
ITK Q08881 3/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
STING1 Q86WV6 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EHMT1 Q9H9B1 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.44
ADORA2A P29274 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
SCHEMBL5097272 0.85 EHMT2 (0.62) EHMT2SUV39H1PRMT1KDM4EALDH1A1
SCHEMBL5038741 0.78 NPC1 (0.67) EHMT2SUV39H1PRMT1KDM4EALDH1A1
SCHEMBL5089736 0.78 KDM4E (0.56) EHMT2SUV39H1PRMT1KDM4EALDH1A1
SCHEMBL5089715 0.77 STING1 (0.56) EHMT2SUV39H1PRMT1KDM4EALDH1A1
SCHEMBL5087740 0.77 KDM4E (0.54) EHMT2SUV39H1PRMT1KDM4EALDH1A1
SCHEMBL5087662 0.75 NPC1 (0.51) KDM4EALDH1A1RXFP1OPRK1POLB
SCHEMBL29361688 0.75 EHMT2 (1.00) EHMT2SUV39H1PRMT1KDM4EALDH1A1
SCHEMBL17237897 0.72 EHMT2 (0.82) EHMT2SUV39H1PRMT1KDM4EALDH1A1
SCHEMBL11714273 0.71 OPRK1 (0.56) EHMT2SUV39H1PRMT1KDM4EALDH1A1
SCHEMBL5090621 0.67 ALDH1A1 (0.59) KDM4EALDH1A1RXFP1OPRK1ITK

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-7338956-B2 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-04 US disclosed
EP-1534275-A1 ACYLAMINO-SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2005-06-01 EP disclosed
US-20040110808-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-10 US disclosed
WO-2004014369-A1 ACYLAMINO-SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 WO disclosed
EP-1388341-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 EP 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-20040110808-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals EDNRA, LIPG, CYP11B1 EHMT2 2121/4885SUV39H1 2063/4885PRMT1 59/4885

“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.