SCHEMBL3940561

SCHEMBL3940561

O=CC=C(c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.43
ALDH1A1 P00352 3/20 0.40
TP53 P04637 3/20 0.40
MAPK1 P28482 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TRPV1 Q8NER1 6/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HTR1A P08908 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL3940555 1.00 SCN10A (0.43) SCN10AALDH1A1TP53MAPK1KDM4E
SCHEMBL3941286 0.86 SCN10A (0.42) SCN10AALDH1A1TP53MAPK1KDM4E
SCHEMBL3940496 0.86 SCN10A (0.42) SCN10AALDH1A1TP53MAPK1KDM4E
SCHEMBL3941280 0.86 SCN10A (0.42) SCN10AALDH1A1TP53MAPK1KDM4E
SCHEMBL3941508 0.86 SCN10A (0.42) SCN10AALDH1A1TP53MAPK1KDM4E
SCHEMBL3946543 0.86 SCN10A (0.45) SCN10AALDH1A1TP53MAPK1KDM4E
SCHEMBL3946526 0.86 SCN10A (0.45) SCN10AALDH1A1TP53MAPK1KDM4E
SCHEMBL3938819 0.84 SCN10A (0.41) SCN10AALDH1A1TP53MAPK1KDM4E
SCHEMBL3938825 0.84 SCN10A (0.41) SCN10AALDH1A1TP53MAPK1KDM4E
SCHEMBL28781073 0.83 SCN10A (0.42) SCN10AALDH1A1TP53MAPK1KDM4E

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 SCN10A 402/4885ALDH1A1 1143/4885TP53 2799/4885

“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.