SCHEMBL5097272

SCHEMBL5097272

O=C(Nc1nc2cc(C(F)(F)F)ccc2n1CCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.62
EHMT1 Q9H9B1 1/20 0.62
KDM4E B2RXH2 8/20 0.60
ALDH1A1 P00352 4/20 0.60
RXFP1 Q9HBX9 1/20 0.60
SUV39H1 O43463 1/20 0.59
PRMT1 Q99873 1/20 0.59
OPRK1 P41145 2/20 0.56
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MEN1 O00255 3/20 0.51
TSHR P16473 3/20 0.51
KMT2A Q03164 3/20 0.51
ITK Q08881 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 2/20 0.49

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
SCHEMBL5087740 0.90 KDM4E (0.54) EHMT2EHMT1KDM4EALDH1A1RXFP1
SCHEMBL5089736 0.87 KDM4E (0.56) EHMT2EHMT1KDM4EALDH1A1RXFP1
SCHEMBL5096483 0.85 EHMT2 (0.60) EHMT2EHMT1KDM4EALDH1A1RXFP1
SCHEMBL5038741 0.81 NPC1 (0.67) EHMT2KDM4EALDH1A1RXFP1SUV39H1
SCHEMBL5089715 0.79 STING1 (0.56) EHMT2KDM4EALDH1A1RXFP1SUV39H1
SCHEMBL5087597 0.78 KDM4E (0.71) KDM4EALDH1A1RXFP1OPRK1OPRM1
SCHEMBL25302284 0.76 EHMT2 (1.00) EHMT2EHMT1KDM4ESUV39H1PRMT1
SCHEMBL5087662 0.76 NPC1 (0.51) KDM4EALDH1A1RXFP1OPRK1POLB
SCHEMBL29361688 0.75 EHMT2 (1.00) EHMT2EHMT1KDM4EALDH1A1SUV39H1
SCHEMBL17915518 0.75 EHMT2 (1.00) EHMT2EHMT1KDM4EALDH1A1SUV39H1

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 2121/4885EHMT1 1938/4885KDM4E 861/4885

“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.