SCHEMBL5087597

SCHEMBL5087597

O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.71
ALDH1A1 P00352 5/20 0.71
RXFP1 Q9HBX9 1/20 0.71
MEN1 O00255 8/20 0.66
KMT2A Q03164 8/20 0.66
TSHR P16473 6/20 0.66
HSD17B10 Q99714 5/20 0.66
RAB9A P51151 3/20 0.66
LMNA P02545 3/20 0.66
HTT P42858 3/20 0.66
NPC1 O15118 2/20 0.66
OPRM1 P35372 1/20 0.66
OPRD1 P41143 1/20 0.66
OPRK1 P41145 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.63
NPSR1 Q6W5P4 5/20 0.62
TDP1 Q9NUW8 1/20 0.62

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 0.86 KDM4E (0.54) KDM4EALDH1A1RXFP1MEN1KMT2A
SCHEMBL5097330 0.82 KDM4E (0.70) KDM4EALDH1A1RXFP1MEN1KMT2A
SCHEMBL26350307 0.82 LMNA (0.65) KDM4EALDH1A1RXFP1MEN1KMT2A
SCHEMBL8423594 0.80 CYP1A2 (1.00) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL20886907 0.79 ALDH1A1 (0.72) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL5089620 0.79 RAB9A (0.70) KDM4EALDH1A1RXFP1MEN1KMT2A
SCHEMBL26350300 0.79 ALDH1A1 (0.74) ALDH1A1KMT2ARAB9ALMNAHTT
SCHEMBL5097272 0.78 EHMT2 (0.62) KDM4EALDH1A1RXFP1MEN1KMT2A
SCHEMBL18271771 0.78 HDAC6 (0.66) KDM4EMEN1KMT2ATSHRHSD17B10
SCHEMBL26350914 0.77 LMNA (0.58) KDM4EALDH1A1RXFP1MEN1KMT2A

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 KDM4E 861/4885ALDH1A1 320/4885RXFP1 479/4885

“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.