SCHEMBL21045137

SCHEMBL21045137

O=C(CCCc1ccc(-c2ccccc2F)cc1)NCc1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ CYP3A4 P08684 4/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAPKAPK2 P49137 1/20 0.56
▸ CYP1A2 P05177 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ LMNA P02545 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ HTT P42858 1/20 0.48
▸ ADORA2A P29274 1/20 0.47

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
SCHEMBL29411651 1.00 HPGD (0.59) HPGDALOX15TDP1CYP3A4MEN1
SCHEMBL29411668 0.84 ALDH1A1 (0.58) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21045326 0.84 ALDH1A1 (0.58) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21045420 0.82 ALDH1A1 (0.69) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29411509 0.82 ALDH1A1 (0.69) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21045245 0.81 CYP3A4 (0.61) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29411558 0.81 CYP3A4 (0.61) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21045099 0.78 ALDH1A1 (0.72) HPGDCYP3A4MEN1KMT2AALDH1A1
SCHEMBL21045323 0.78 ALDH1A1 (0.56) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29411483 0.78 ALDH1A1 (0.56) CYP3A4MEN1KMT2AALDH1A1SMN1; 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 HPGD 3869/4885ALOX15 4824/4885TDP1 302/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB HPGD 3869/4885ALOX15 4824/4885TDP1 302/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB HPGD 3869/4885ALOX15 4824/4885TDP1 302/4885

“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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