SCHEMBL5089614

SCHEMBL5089614

O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.70
RAB9A P51151 6/20 0.69
NPC1 O15118 5/20 0.69
MEN1 O00255 1/20 0.69
SCD O00767 1/20 0.69
KMT2A Q03164 1/20 0.69
KDM4E B2RXH2 2/20 0.68
NFKB1 P19838 1/20 0.68
HTT P42858 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
DYRK1A Q13627 1/20 0.64
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RXFP1 Q9HBX9 2/20 0.60
TP53 P04637 1/20 0.60

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
SCHEMBL14807437 0.87 MAP3K5 (0.68) LRRK2RAB9ANPC1MEN1SCD
SCHEMBL5445832 0.86 HPGDS (0.69) LRRK2RAB9ANPC1SCDHTT
SCHEMBL8290010 0.86 LRRK2 (0.64) LRRK2RAB9ANPC1MEN1SCD
SCHEMBL12199347 0.86 HSD17B1 (0.76) LRRK2RAB9ANPC1MEN1SCD
SCHEMBL12199323 0.86 HSD17B1 (0.76) LRRK2RAB9ANPC1MEN1SCD
SCHEMBL12199335 0.85 MAP3K5 (0.76) LRRK2RAB9ANPC1MEN1SCD
SCHEMBL21568214 0.85 NPC1 (0.71) LRRK2RAB9ANPC1MEN1SCD
SCHEMBL12199362 0.85 MAP3K5 (0.76) LRRK2RAB9ANPC1MEN1SCD
SCHEMBL4917956 0.84 SCD (0.82) RAB9ANPC1MEN1SCDKMT2A
SCHEMBL4909164 0.83 MMP13 (0.76) LRRK2RAB9ANPC1MEN1SCD

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 LRRK2 3234/4885RAB9A 3101/4885NPC1 1665/4885

“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.