SCHEMBL29411571

SCHEMBL29411571

COc1cccc(-c2ccc(CCCNC(=O)c3cncnc3)cc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 6/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
FYN P06241 1/20 0.45
EPHX2 P34913 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.42
BDKRB1 P46663 1/20 0.42
NAMPT P43490 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
SCHEMBL21045146 1.00 PTAFR (0.46) PTAFRROCK2ROCK1FYNEPHX2
SCHEMBL29411462 0.85 KDM4E (0.49) PTAFRROCK2ROCK1FYNNPC1
SCHEMBL21045432 0.85 KDM4E (0.49) PTAFRROCK2ROCK1FYNNPC1
SCHEMBL21045141 0.82 EPHX2 (0.53) PTAFREPHX2NPC1RAB9AKMT2A
SCHEMBL29411581 0.82 EPHX2 (0.53) PTAFREPHX2NPC1RAB9AKMT2A
SCHEMBL21045144 0.81 HDAC3 (0.47) FYNNPC1RAB9AHIF1ANAMPT
SCHEMBL29411494 0.81 HDAC3 (0.47) FYNNPC1RAB9AHIF1ANAMPT
SCHEMBL21045132 0.80 MAPT (0.52) NPC1RAB9AKMT2APOLB
SCHEMBL21045267 0.80 DHODH (0.48) PTAFRFYNKMT2AHIF1A
SCHEMBL29411570 0.80 MAPT (0.52) NPC1RAB9AKMT2APOLB

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 PTAFR 2124/4885ROCK2 344/4885ROCK1 277/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB PTAFR 2124/4885ROCK2 344/4885ROCK1 277/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB PTAFR 2124/4885ROCK2 344/4885ROCK1 277/4885

“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.