SCHEMBL29411432

SCHEMBL29411432

O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1cc[nH]c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
MAPT P10636 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MEN1 O00255 1/20 0.70
CYP3A4 P08684 1/20 0.70
TSHR P16473 1/20 0.70
MAPKAPK2 P49137 1/20 0.70
KMT2A Q03164 1/20 0.70
HCAR2 Q8TDS4 2/20 0.49
RAB9A P51151 4/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL21045549 1.00 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL21045323 0.83 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL29411483 0.83 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL169905 0.82 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL29729259 0.82 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL21045543 0.82 MEN1 (0.67) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL29411403 0.82 MEN1 (0.67) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL21227017 0.81 TSHR (0.77) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL30920079 0.81 TSHR (0.77) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL21045264 0.81 SMN1; SMN2 (0.71) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4

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 3048/4885MAPT 24/4885SMN1; SMN2 1062/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB ALDH1A1 3048/4885MAPT 24/4885SMN1; SMN2 1062/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB ALDH1A1 3048/4885MAPT 24/4885SMN1; SMN2 1062/4885

“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.