SCHEMBL3938804

SCHEMBL3938804

O=C(/C=C/C=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)Nc1ccc2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 5/20 0.51
POLB P06746 2/20 0.51
PABPC1 P11940 1/20 0.51
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
BRAF P15056 1/20 0.48
TRPV1 Q8NER1 4/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
NAMPT P43490 1/20 0.44
MCHR1 Q99705 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTAFR P25105 1/20 0.43

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
SCHEMBL3938813 1.00 NPC1 (0.51) NPC1RAB9APOLBPABPC1MEN1
SCHEMBL3940751 0.92 TRPV1 (0.57) NPC1RAB9APOLBMEN1MAPT
SCHEMBL3940741 0.92 TRPV1 (0.57) NPC1RAB9APOLBMEN1MAPT
SCHEMBL3942175 0.87 TRPV1 (0.54) NPC1RAB9APOLBMAPTTRPV1
SCHEMBL3942178 0.87 TRPV1 (0.54) NPC1RAB9APOLBMAPTTRPV1
SCHEMBL3939567 0.80 NPC1 (0.62) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3939561 0.80 NPC1 (0.62) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL3958875 0.79 NPC1 (0.76) NPC1RAB9APOLBPABPC1MEN1
SCHEMBL4026831 0.78 MEN1 (0.54) PABPC1MEN1MAPTKMT2ATRPV1
SCHEMBL4026823 0.78 MEN1 (0.54) PABPC1MEN1MAPTKMT2ATRPV1

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 NPC1 3999/4885RAB9A 1128/4885POLB 4104/4885

“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.