SCHEMBL21045112

SCHEMBL21045112

Cn1c(=O)[nH]c2ccc(NC(=O)CCCc3ccc(-c4ccccc4F)cc3)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
TSHR P16473 1/20 0.60
MAPKAPK2 P49137 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAOB P27338 1/20 0.44
BRD4 O60885 2/20 0.44
HCAR2 Q8TDS4 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
DAO P14920 1/20 0.43
PGR P06401 1/20 0.43
MMP2 P08253 4/20 0.41
MMP13 P45452 4/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL29411565 1.00 ALDH1A1 (0.60) ALDH1A1MEN1CYP3A4MAPTTSHR
SCHEMBL29411387 0.83 MAPT (0.67) ALDH1A1MEN1CYP3A4MAPTTSHR
SCHEMBL21045240 0.83 MAPT (0.67) ALDH1A1MEN1CYP3A4MAPTTSHR
SCHEMBL21045290 0.80 MEN1 (0.62) ALDH1A1MEN1CYP3A4MAPTTSHR
SCHEMBL29411536 0.80 MEN1 (0.62) ALDH1A1MEN1CYP3A4MAPTTSHR
SCHEMBL21045140 0.78 MAPT (0.66) ALDH1A1MEN1CYP3A4MAPTTSHR
SCHEMBL29411648 0.78 MAPT (0.66) ALDH1A1MEN1CYP3A4MAPTTSHR
SCHEMBL29411432 0.77 ALDH1A1 (0.70) ALDH1A1MEN1CYP3A4MAPTTSHR
SCHEMBL21045549 0.77 ALDH1A1 (0.70) ALDH1A1MEN1CYP3A4MAPTTSHR
SCHEMBL21045524 0.77 MEN1 (0.63) ALDH1A1MEN1CYP3A4MAPTTSHR

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 7 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-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 3048/4885MEN1 955/4885CYP3A4 3925/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB ALDH1A1 3048/4885MEN1 955/4885CYP3A4 3925/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB ALDH1A1 3048/4885MEN1 955/4885CYP3A4 3925/4885

“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.