SCHEMBL21045264

SCHEMBL21045264

O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1cncnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
ALDH1A1 P00352 3/20 0.71
MAPT P10636 3/20 0.71
MEN1 O00255 1/20 0.71
CYP3A4 P08684 1/20 0.71
TSHR P16473 1/20 0.71
MAPKAPK2 P49137 1/20 0.71
KMT2A Q03164 1/20 0.71
HCAR2 Q8TDS4 2/20 0.50
RAB9A P51151 4/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL29411562 1.00 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL21045170 0.89 MEN1 (0.69) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL29411617 0.89 MEN1 (0.69) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL21227017 0.87 TSHR (0.77) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL30920079 0.87 TSHR (0.77) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL24968055 0.84 MAPT (0.72) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL169905 0.83 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL29729259 0.83 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL21045079 0.83 MAPT (0.74) SMN1; SMN2ALDH1A1MAPTMEN1CYP3A4
SCHEMBL21045543 0.83 MEN1 (0.67) 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 6 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-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.