SCHEMBL4611491

SCHEMBL4611491

[c]1ccccc1-c1ccn[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.50
IDO1 P14902 1/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
PDPK1 O15530 1/20 0.41
HPGDS O60760 4/20 0.41
LTA4H P09960 2/20 0.41
POLB P06746 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
AURKB Q96GD4 1/20 0.40
PTPN11 Q06124 1/20 0.38
NOTUM Q6P988 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL10617414 0.74 ALDH1A1 (0.33) SCN4AIDO1ALDH1A1
SCHEMBL28799980 0.71 SCN4A (0.44) SCN4AIDO1NPC1RAB9APDPK1
SCHEMBL1521918 0.71
SCHEMBL12984925 0.70
SCHEMBL3068150 0.69 SCN4A (0.62) SCN4AIDO1NPC1RAB9APDPK1
SCHEMBL115447 0.69 CYP3A4 (0.33) SMN1; SMN2
SCHEMBL1226376 0.69 IDO1 (0.52) SCN4AIDO1NPC1RAB9APDPK1
SCHEMBL1585080 0.68 NOTUM (0.43) SCN4AIDO1NPC1RAB9APDPK1
SCHEMBL3026361 0.67 SCN4A (1.00) SCN4AIDO1NPC1RAB9APDPK1
SCHEMBL496792 0.67 HDAC1 (0.31)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 US claimed
EP-2914589-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - Science Park S.p.A. (IT) 2015-09-09 EP claimed
WO-2014067985-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 WO claimed
US-9365541-B2 Compounds for use in the treatment of parasitic diseases IRBM—SCIENCE PARK S.P.A. (IT) 2016-06-14 US disclosed
CN-105164124-A Compounds and compositions for treating parasitic diseases NOVARTIS AG 2015-12-16 CN disclosed
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 US disclosed
EP-1910331-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007010217-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS ASTRAZENECA AB (SE) 2007-01-25 WO disclosed
US-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-08-03 US disclosed
EP-1539159-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004006926-A1 SULPHONYLPIPERIDINE DERIVATIVES CONTAINING AN ARYL OR HETEROARYL GROUP FOR USE AS MATRIX METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2004-01-22 WO 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 (2 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-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES HDAC3, HDAC5, HDAC1 SCN4A 4739/4885IDO1 1382/4885NPC1 1330/4885
US-20060173041-A1 Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors MMP9, MMP2, MMP25 SCN4A 3253/4885IDO1 189/4885NPC1 930/4885

“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.