SCHEMBL15057230

SCHEMBL15057230

O=C(OCc1ccccn1)N1C=Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 1/20 0.43
PARP10 Q53GL7 1/20 0.40
MAPT P10636 2/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HDAC3 O15379 1/20 0.36
SYK P43405 2/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL324696 0.87 PTGDR2 (0.36) KDM4EALDH1A1PTGDR2HDAC3SYK
SCHEMBL324620 0.87 NAMPT (0.38) NPC1RAB9ASMN1; SMN2LMNAHDAC3
SCHEMBL15056293 0.82 DPP4 (0.41) PRMT5WDR77PTGDR2HDAC3CYP1A2
SCHEMBL324299 0.81 P2RX4 (0.52) NPC1RAB9ASMN1; SMN2SLC6A2ALDH1A1
SCHEMBL324887 0.80 CYP3A4 (0.36) SMN1; SMN2ALDH1A1HDAC3CYP3A4CYP2D6
SCHEMBL325045 0.80 NAMPT (0.38) NPC1SMN1; SMN2LMNAPRMT5WDR77
SCHEMBL324037 0.79 MAPT (0.40) NPC1RAB9ALMNAMAPTKDM4E
SCHEMBL15056964 0.79 HDAC3 (0.41) RAB9ASMN1; SMN2LMNAMAPTKDM4E
SCHEMBL29493251 0.79 HDAC3 (0.41) RAB9ASMN1; SMN2LMNAMAPTKDM4E
SCHEMBL324968 0.78 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 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 (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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 NPC1 2085/4885RAB9A 1736/4885SMN1; SMN2 3824/4885

“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.