SCHEMBL21045238

SCHEMBL21045238

Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 1/20 0.48
NAMPT P43490 6/20 0.46
MAOB P27338 1/20 0.45
WNT1 P04628 1/20 0.45
DYRK1A Q13627 1/20 0.45
PTAFR P25105 2/20 0.45
MAPK14 Q16539 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP19A1 P11511 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL29411610 1.00 KDM4E (0.51) KDM4EROCK2ROCK1NAMPTMAOB
SCHEMBL21045260 0.89 KDM4E (0.52) KDM4ENAMPTPTAFRPSEN1PSEN2
SCHEMBL21045284 0.87 KDM4E (0.50) KDM4ENAMPTPTAFRPSEN1PSEN2
SCHEMBL21045426 0.86 KDM4E (0.51) KDM4ENAMPTWNT1DYRK1APTAFR
SCHEMBL29411466 0.86 KDM4E (0.51) KDM4ENAMPTWNT1DYRK1APTAFR
SCHEMBL21045381 0.85 KDM4E (0.49) KDM4ENAMPTWNT1DYRK1APTAFR
SCHEMBL21045266 0.83 KDM4E (0.49) KDM4ENAMPTWNT1DYRK1AGSK3B
SCHEMBL21045196 0.83 ROCK2 (0.49) ROCK2ROCK1DYRK1APTAFRGSK3B
SCHEMBL29411659 0.83 ROCK2 (0.49) ROCK2ROCK1DYRK1APTAFRGSK3B
SCHEMBL21045219 0.82 ROCK2 (0.48) ROCK2ROCK1NAMPTMAOBDYRK1A

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 KDM4E 4032/4885ROCK2 344/4885ROCK1 277/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB KDM4E 4032/4885ROCK2 344/4885ROCK1 277/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB KDM4E 4032/4885ROCK2 344/4885ROCK1 277/4885

“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.