SCHEMBL29411417

SCHEMBL29411417

O=C(NCCCc1ccc(-c2ccccc2F)cc1)c1cccnc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 3/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NLRP1 Q9C000 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
RAB9A P51151 3/20 0.46
HIF1A Q16665 1/20 0.46
EPHX2 P34913 1/20 0.42
SLC6A5 Q9Y345 2/20 0.42
EGLN1 Q9GZT9 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL21045473 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1MAPTTSHR
SCHEMBL29411490 0.88 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPC1MAPTTSHR
SCHEMBL21045225 0.88 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPC1MAPTTSHR
SCHEMBL21045594 0.85 MEN1 (0.48) ALDH1A1SMN1; SMN2NPC1MAPTHPGD
SCHEMBL29411399 0.85 MEN1 (0.48) ALDH1A1SMN1; SMN2NPC1MAPTHPGD
SCHEMBL21045396 0.85 HIF1A (0.50) ALDH1A1SMN1; SMN2NPC1MAPTTSHR
SCHEMBL29411495 0.85 HIF1A (0.50) ALDH1A1SMN1; SMN2NPC1MAPTTSHR
SCHEMBL29411365 0.81 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2NPC1MAPTTSHR
SCHEMBL21045194 0.81 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2NPC1MAPTTSHR
SCHEMBL21045242 0.79 EPHX2 (0.70) SMN1; SMN2NPC1MAPTMEN1KMT2A

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 ALDH1A1 3048/4885SMN1; SMN2 1062/4885NPC1 421/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB ALDH1A1 3048/4885SMN1; SMN2 1062/4885NPC1 421/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB ALDH1A1 3048/4885SMN1; SMN2 1062/4885NPC1 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.