SCHEMBL6496498

SCHEMBL6496498

NC1(F)C=CC(c2ccccc2)C=C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
MAOB P27338 17/20 0.38
MAOA P21397 15/20 0.38
KDM1A O60341 13/20 0.38

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
SCHEMBL1074533 0.82 KDM1A (0.40) HTR2AHTR2CHTR2BMAOBMAOA
SCHEMBL1577842 0.82 HTR2A (0.41) HTR2AHTR2CHTR2BMAOBMAOA
Methane SCHEMBL16507862 0.80 KDM1A (0.39) HTR2AHTR2CHTR2BMAOBMAOA
SCHEMBL4794111 0.78 KDM1A (0.38) HTR2AHTR2CHTR2BMAOBMAOA
SCHEMBL746904 0.78 HTR2A (0.38) HTR2AHTR2CHTR2BMAOBMAOA
SCHEMBL7422826 0.78 HTR2A (0.38) HTR2AHTR2CHTR2BMAOBMAOA
SCHEMBL5526874 0.78 KDM1A (0.38) HTR2AHTR2CHTR2BMAOBMAOA
Propane SCHEMBL23045273 0.75 KDM1A (0.43) HTR2AHTR2CHTR2BMAOBMAOA
SCHEMBL9008592 0.75 HTR2A (0.40) HTR2AHTR2CHTR2BKDM1A
SCHEMBL2121106 0.74 KDM1A (0.34) MAOBMAOAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 US 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 HTR2A 2476/4885HTR2C 648/4885HTR2B 1126/4885

“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.