SCHEMBL4915001

SCHEMBL4915001

COc1ncc(C(=NO)c2ccc(F)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
CTSA P10619 2/20 0.37
SCN9A Q15858 7/20 0.36
SCN5A Q14524 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RPS6KA3 P51812 1/20 0.35
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
VNN1 O95497 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4914995 1.00 NPSR1 (0.39) NPSR1CTSASCN9ASCN5ASMN1; SMN2
SCHEMBL4924580 0.81 VNN1 (0.47) CTSASCN9ASCN5ASMN1; SMN2KDM4E
SCHEMBL4927579 0.76 NNMT (0.49) SMN1; SMN2KDM4EALDH1A1
SCHEMBL4927587 0.76 NNMT (0.49) SMN1; SMN2KDM4EALDH1A1
SCHEMBL26168167 0.70 CYP2C9 (0.41) SCN9ASMN1; SMN2SLC22A12HPGD
SCHEMBL11523488 0.70 ESR1 (0.50) SMN1; SMN2ALDH1A1HPGD
SCHEMBL31459066 0.68 TPMT (0.49) CTSAKDM4EALDH1A1
SCHEMBL31599570 0.68 ALDH1A1 (0.44) CTSASCN9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30820797 0.68 SMN1; SMN2 (0.37) CTSASCN9ASCN5ASMN1; SMN2KDM4E
SCHEMBL1425009 0.68 TPMT (0.49) CTSAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306055-A1 Heterocyclic Mchr1 Antagonists And Their Use In Therapy ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1831194-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006068594-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-29 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-20080306055-A1 Heterocyclic Mchr1 Antagonists And Their Use In Therapy MCHR1, MCHR2, MC1R NPSR1 16/4885CTSA 1953/4885SCN9A 1164/4885

“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.