SCHEMBL21045183

SCHEMBL21045183

O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1ccc2ncoc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPT P10636 2/20 0.63
MEN1 O00255 1/20 0.63
CYP3A4 P08684 1/20 0.63
TSHR P16473 1/20 0.63
MAPKAPK2 P49137 1/20 0.63
KMT2A Q03164 1/20 0.63
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
HCAR2 Q8TDS4 1/20 0.46
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
MMP2 P08253 2/20 0.42
MMP13 P45452 2/20 0.42
KDR P35968 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL29411579 1.00 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL21045314 0.79 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL29411473 0.79 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL24968055 0.79 MAPT (0.72) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL21045290 0.78 MEN1 (0.62) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL29411536 0.78 MEN1 (0.62) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL169905 0.78 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL29729259 0.78 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL21045079 0.78 MAPT (0.74) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL29411505 0.78 MAPT (0.74) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4

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 SMN1; SMN2 1062/4885ALDH1A1 3048/4885MAPT 24/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB SMN1; SMN2 1062/4885ALDH1A1 3048/4885MAPT 24/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB SMN1; SMN2 1062/4885ALDH1A1 3048/4885MAPT 24/4885

“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.