SCHEMBL3940751

SCHEMBL3940751

O=C(C=CC=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)Nc1ccc2cccnc2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TRPM8 Q7Z2W7 2/20 0.46
EGLN1 Q9GZT9 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTAFR P25105 2/20 0.43
BRAF P15056 1/20 0.42
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3940741 1.00 TRPV1 (0.57) TRPV1MEN1KMT2ATRPM8EGLN1
SCHEMBL3938804 0.92 NPC1 (0.51) TRPV1MEN1KMT2ATRPM8HDAC6
SCHEMBL3938813 0.92 NPC1 (0.51) TRPV1MEN1KMT2ATRPM8HDAC6
SCHEMBL13675624 0.83 TRPV1 (0.80) TRPV1
SCHEMBL13863924 0.82 MEN1 (0.73) TRPV1MEN1KMT2ATRPM8EGLN1
SCHEMBL3942178 0.80 TRPV1 (0.54) TRPV1MAPTNPC1POLBRAB9A
SCHEMBL3942175 0.80 TRPV1 (0.54) TRPV1MAPTNPC1POLBRAB9A
SCHEMBL4026823 0.78 MEN1 (0.54) TRPV1MEN1KMT2AHDAC6MAPT
SCHEMBL4026831 0.78 MEN1 (0.54) TRPV1MEN1KMT2AHDAC6MAPT
SCHEMBL3939567 0.78 NPC1 (0.62) TRPV1MEN1KMT2ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 TRPV1 2741/4885MEN1 291/4885KMT2A 772/4885

“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.