SCHEMBL21045245

SCHEMBL21045245

O=C(CCCc1ccc(-c2ccccc2F)cc1)NCc1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ MAPT P10636 2/20 0.60
▸ KMT2A Q03164 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPKAPK2 P49137 1/20 0.55
▸ LMNA P02545 4/20 0.55
▸ HTT P42858 3/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ NAMPT P43490 1/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ TRPV1 Q8NER1 1/20 0.50

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
SCHEMBL29411558 1.00 CYP3A4 (0.61) CYP3A4CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29411668 0.88 ALDH1A1 (0.58) CYP3A4MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL21045326 0.88 ALDH1A1 (0.58) CYP3A4MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL21045170 0.83 MEN1 (0.69) CYP3A4MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL29411617 0.83 MEN1 (0.69) CYP3A4MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL21045137 0.81 HPGD (0.59) CYP3A4CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29411651 0.81 HPGD (0.59) CYP3A4CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29411468 0.80 MEN1 (0.55) CYP3A4MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL21045283 0.80 MEN1 (0.55) CYP3A4MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL21045323 0.79 ALDH1A1 (0.56) CYP3A4MAPTKMT2AALDH1A1SMN1; SMN2

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 CYP3A4 3925/4885CYP1A2 3826/4885CYP2C9 4124/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB CYP3A4 3925/4885CYP1A2 3826/4885CYP2C9 4124/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB CYP3A4 3925/4885CYP1A2 3826/4885CYP2C9 4124/4885

“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.

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