SCHEMBL21045200

SCHEMBL21045200

O=C(NCCCc1ccc(-c2ccccc2F)cc1)[C@H]1C[C@@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRIA4 P48058 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
NPC1 O15118 1/20 0.41
HTR3A P46098 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ASAH1 Q13510 1/20 0.41
NAMPT P43490 1/20 0.40
F10 P00742 1/20 0.40
MC4R P32245 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29411615 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL21045199 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL21045374 0.86 ALDH1A1 (0.47) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL29411531 0.86 ALDH1A1 (0.47) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL21045324 0.84 NAMPT (0.48) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL29411378 0.84 NAMPT (0.48) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL29411602 0.82 ALDH1A1 (0.48) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL21045499 0.82 ALDH1A1 (0.48) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL21045396 0.76 HIF1A (0.50) ALDH1A1MAPTMEN1CYP3A4TSHR
SCHEMBL29411495 0.76 HIF1A (0.50) ALDH1A1MAPTMEN1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
US-20220089539-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2022-03-24 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
US-11040945-B2 Tubulin inhibitors LIN BIOSCIENCE PTY LTD. 2021-06-22 US disclosed
WO-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 US disclosed
US-20190169127-A1 TUBULIN INHIBITORS LIN BIOSCIENCE INC. (TW) 2019-06-06 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 3048/4885MAPT 24/4885MEN1 955/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB ALDH1A1 3048/4885MAPT 24/4885MEN1 955/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB ALDH1A1 3048/4885MAPT 24/4885MEN1 955/4885

“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.