SCHEMBL21045283

SCHEMBL21045283

Cn1cc(CNC(=O)CCCc2ccc(-c3ccccc3F)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPKAPK2 P49137 1/20 0.53
▸ LMNA P02545 3/20 0.49
▸ PLA2G7 Q13093 2/20 0.47
▸ TP53 P04637 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ LTB4R2 Q9NPC1 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR7 P34969 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
SCHEMBL29411468 1.00 MEN1 (0.55) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL29411668 0.81 ALDH1A1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL21045326 0.81 ALDH1A1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL21045245 0.80 CYP3A4 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29411558 0.80 CYP3A4 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL21045247 0.79 LMNA (0.57) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29411512 0.79 LMNA (0.57) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL21045099 0.79 ALDH1A1 (0.72) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL21045323 0.79 ALDH1A1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29411398 0.79 ALDH1A1 (0.72) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4

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 MEN1 955/4885KMT2A 2339/4885HSD17B10 2859/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB MEN1 955/4885KMT2A 2339/4885HSD17B10 2859/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB MEN1 955/4885KMT2A 2339/4885HSD17B10 2859/4885

“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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