SCHEMBL4926077

SCHEMBL4926077

Oc1ccc(-c2ncccc2C(F)(F)F)nc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 19/20 0.53
MAPK3 P27361 1/20 0.41
MEN1 O00255 1/20 0.39
TNF P01375 1/20 0.39
CXCL8 P10145 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39

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
SCHEMBL27638993 0.79 TRPV1 (0.65) TRPV1
SCHEMBL30165065 0.79 TRPV1 (0.65) TRPV1
SCHEMBL6195448 0.78 TRPV1 (0.56) TRPV1
SCHEMBL20626849 0.78 PSMD14 (0.36) TRPV1MEN1KMT2APAX8
SCHEMBL31555445 0.78 SCN5A (0.49) TRPV1
SCHEMBL15323277 0.78 SCN5A (0.49) TRPV1
SCHEMBL27639081 0.77 TRPV1 (0.49) TRPV1MAPK3
SCHEMBL15624412 0.76 TRPV1 (0.47) TRPV1
SCHEMBL27638998 0.75 TRPV1 (0.63) TRPV1
SCHEMBL20626850 0.75 ALDH1A1 (0.34) TRPV1MEN1KMT2APAX8

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-20080132509-A1 Substituted Biaryl Analogues NEUROGEN CORPORATION (US) 2008-06-05 US disclosed
US-20080132509-A1 Substituted Biaryl Analogues NEUROGEN CORPORATION (US) 2008-06-05 US disclosed
US-20080132509-A1 Substituted Biaryl Analogues NEUROGEN CORPORATION (US) 2008-06-05 US disclosed
EP-1824839-A2 SUBSTITUTED BIARYL ANALOGUES NEUROGEN CORPORATION (US) 2007-08-29 EP disclosed
WO-2006071538-A2 SUBSTITUTED BIARYL ANALOGUES NEUROGEN CORPORATION (US) 2006-07-06 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-20080132509-A1 Substituted Biaryl Analogues PIGS, PIGO, GPR174 TRPV1 949/4885MAPK3 2876/4885MEN1 4113/4885

“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.