SCHEMBL21045302

SCHEMBL21045302

O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1nccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ MAPKAPK2 P49137 1/20 0.61
▸ GAA P10253 3/20 0.55
▸ MGAM O43451 1/20 0.54
▸ SI P14410 1/20 0.54
▸ MGAM2 Q2M2H8 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PKM P14618 2/20 0.53
▸ LMNA P02545 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ USP2 O75604 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
SCHEMBL29411401 1.00 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL18956343 0.84 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2TSHRGAAHPGD
SCHEMBL21045420 0.81 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL29411509 0.81 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL18956279 0.80 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL21227017 0.80 TSHR (0.77) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL30920079 0.80 TSHR (0.77) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL24967599 0.78 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL21045170 0.77 MEN1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL24968055 0.77 MAPT (0.72) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4

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 ALDH1A1 3048/4885SMN1; SMN2 1062/4885MEN1 955/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB ALDH1A1 3048/4885SMN1; SMN2 1062/4885MEN1 955/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB ALDH1A1 3048/4885SMN1; SMN2 1062/4885MEN1 955/4885

“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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