SCHEMBL29411412

SCHEMBL29411412

Nc1ccc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.56
EPHX2 P34913 2/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HIF1A Q16665 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
MLYCD O95822 1/20 0.44
PTAFR P25105 2/20 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
SCHEMBL21045235 1.00 NAMPT (0.56) NAMPTEPHX2NPC1RAB9AALDH1A1
SCHEMBL21235030 0.89 EPHX2 (0.52) NAMPTEPHX2NPC1RAB9AALDH1A1
SCHEMBL29411649 0.89 HIF1A (0.49) NAMPTEPHX2NPC1RAB9AALDH1A1
SCHEMBL21045443 0.89 HIF1A (0.49) NAMPTEPHX2NPC1RAB9AALDH1A1
SCHEMBL21045430 0.88 NPC1 (0.50) NAMPTEPHX2NPC1RAB9AALDH1A1
SCHEMBL29411600 0.88 NPC1 (0.50) NAMPTEPHX2NPC1RAB9AALDH1A1
SCHEMBL29411410 0.87 KDM4E (0.55) NAMPTEPHX2NPC1RAB9AALDH1A1
SCHEMBL21045178 0.87 KDM4E (0.55) NAMPTEPHX2NPC1RAB9AALDH1A1
SCHEMBL21045401 0.85 MLYCD (0.47) NAMPTEPHX2NPC1RAB9AALDH1A1
SCHEMBL29411472 0.85 MLYCD (0.47) NAMPTEPHX2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188035-A1 TUBULIN INHIBITORS LIN BIOSCIENCE LLC (US) 2025-06-12 US disclosed
US-12247010-B2 Tubulin inhibitors LIN BIOSCIENCE INC. (TW) 2025-03-11 US disclosed
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 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 (3 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-20220089539-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB NAMPT 778/4885EPHX2 4380/4885NPC1 421/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB NAMPT 778/4885EPHX2 4380/4885NPC1 421/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB NAMPT 778/4885EPHX2 4380/4885NPC1 421/4885

“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.