SCHEMBL5097268

SCHEMBL5097268

O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.73
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
KDM4E B2RXH2 3/20 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
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SCD O00767 1/20 0.59
MMP13 P45452 1/20 0.58
DYRK1A Q13627 1/20 0.56
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL8122837 0.87 NPC1 (0.70) LRRK2NPC1RAB9AKDM4ENFKB1
SCHEMBL30369583 0.82 LRRK2 (0.81) LRRK2NPC1RAB9AKDM4ENFKB1
SCHEMBL4915099 0.81 NPC1 (1.00) LRRK2NPC1RAB9AKDM4ENFKB1
SCHEMBL16291695 0.81 SCD (0.64) LRRK2NPC1RAB9AKDM4ENFKB1
SCHEMBL30553332 0.79 NPC1 (0.78) LRRK2NPC1RAB9AKDM4ENFKB1
SCHEMBL9893066 0.78 DYRK1A (0.78) NPC1RAB9AHTTDYRK1ASMN1; SMN2
SCHEMBL12199347 0.78 HSD17B1 (0.76) LRRK2NPC1RAB9AKDM4ENFKB1
SCHEMBL12199323 0.78 HSD17B1 (0.76) LRRK2NPC1RAB9AKDM4ENFKB1
SCHEMBL5089614 0.77 LRRK2 (0.70) LRRK2NPC1RAB9AKDM4ENFKB1
SCHEMBL21568214 0.77 NPC1 (0.71) LRRK2NPC1RAB9AKDM4ENFKB1

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 3234/4885NPC1 1665/4885RAB9A 3101/4885

“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.