SCHEMBL21045501

SCHEMBL21045501

Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(cnn4C)c3)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP19A1 P11511 1/20 0.47
NAMPT P43490 3/20 0.45
PTAFR P25105 2/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
WNT1 P04628 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
LMNA P02545 1/20 0.42
VNN1 O95497 1/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL21045576 0.92 PTAFR (0.48) KDM4EALDH1A1CYP19A1NAMPTPTAFR
SCHEMBL29411469 0.92 PTAFR (0.48) KDM4EALDH1A1CYP19A1NAMPTPTAFR
SCHEMBL21045167 0.87 WNT1 (0.44) NAMPTPTAFRWNT1CLK2CLK3
SCHEMBL21045172 0.85 VNN1 (0.46) NAMPTPTAFRWNT1CLK2CLK3
SCHEMBL29411489 0.85 VNN1 (0.46) NAMPTPTAFRWNT1CLK2CLK3
SCHEMBL21045482 0.85 LMNA (0.41) KDM4EALDH1A1PTAFRPSEN1PSEN2
SCHEMBL21045571 0.85 NPC1 (0.46) KDM4EALDH1A1CYP19A1WNT1CLK2
SCHEMBL21045135 0.84 CACNA1H (0.49) NAMPTTP53GCGR
SCHEMBL21045409 0.83 CACNA1H (0.43) WNT1CLK2CLK3GSK3BDYRK1A
SCHEMBL21045480 0.83 CCNC (0.45) PTAFRWNT1CLK2CLK3GSK3B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188035-A1 TUBULIN INHIBITORS LIN BIOSCIENCE LLC (US) 2025-06-12 US disclosed
US-12247010-B2 Tubulin inhibitors LIN BIOSCIENCE INC. (TW) 2025-03-11 US disclosed
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 (5 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 4032/4885ALDH1A1 3048/4885CYP19A1 4162/4885
US-12247010-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB KDM4E 4032/4885ALDH1A1 3048/4885CYP19A1 4162/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB KDM4E 4032/4885ALDH1A1 3048/4885CYP19A1 4162/4885
US-20250188035-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB KDM4E 4032/4885ALDH1A1 3048/4885CYP19A1 4162/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB KDM4E 4032/4885ALDH1A1 3048/4885CYP19A1 4162/4885

“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.