SCHEMBL21045299

SCHEMBL21045299

Cc1ccc(C(=O)NCCCc2cccc(-c3cccnc3)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 10/20 0.62
EPHX2 P34913 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP19A1 P11511 1/20 0.51
NAMPT P43490 1/20 0.49
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49

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
SCHEMBL29411591 1.00 PTAFR (0.62) PTAFREPHX2KDM4EMEN1NPC1
SCHEMBL29411467 0.92 PTAFR (0.59) PTAFREPHX2KDM4EMEN1NPC1
SCHEMBL21045340 0.92 PTAFR (0.59) PTAFREPHX2KDM4EMEN1NPC1
SCHEMBL21045250 0.85 PTAFR (0.52) PTAFREPHX2KDM4EALDH1A1CYP19A1
SCHEMBL29411440 0.85 PTAFR (0.52) PTAFREPHX2KDM4EALDH1A1CYP19A1
SCHEMBL21045447 0.84 PTAFR (0.49) PTAFREPHX2KDM4EALDH1A1CYP19A1
SCHEMBL29411423 0.84 PTAFR (0.49) PTAFREPHX2KDM4EALDH1A1CYP19A1
SCHEMBL21045159 0.82 PTAFR (0.53) PTAFREPHX2KDM4ENPC1RAB9A
SCHEMBL29411435 0.82 PTAFR (0.53) PTAFREPHX2KDM4ENPC1RAB9A
SCHEMBL21045576 0.81 PTAFR (0.48) PTAFREPHX2KDM4EALDH1A1CYP19A1

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 PTAFR 2124/4885EPHX2 4380/4885KDM4E 4032/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB PTAFR 2124/4885EPHX2 4380/4885KDM4E 4032/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB PTAFR 2124/4885EPHX2 4380/4885KDM4E 4032/4885

“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.