SCHEMBL21045331

SCHEMBL21045331

Cc1ncc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SCN9A Q15858 4/20 0.48
KCNH2 Q12809 2/20 0.48
SCN5A Q14524 2/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GRIA4 P48058 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
SCHEMBL29411657 1.00 HIF1A (0.49) HIF1ANPC1RAB9ASCN9AKCNH2
SCHEMBL29411410 0.89 KDM4E (0.55) HIF1ANPC1RAB9ASCN9AKCNH2
SCHEMBL21045178 0.89 KDM4E (0.55) HIF1ANPC1RAB9ASCN9AKCNH2
SCHEMBL21045443 0.89 HIF1A (0.49) HIF1ANPC1RAB9APOLBKDM4E
SCHEMBL29411649 0.89 HIF1A (0.49) HIF1ANPC1RAB9APOLBKDM4E
SCHEMBL21235030 0.87 EPHX2 (0.52) HIF1ANPC1RAB9AALDH1A1MAPT
SCHEMBL29411581 0.86 EPHX2 (0.53) HIF1ANPC1RAB9APOLBKDM4E
SCHEMBL21045141 0.86 EPHX2 (0.53) HIF1ANPC1RAB9APOLBKDM4E
SCHEMBL21045430 0.86 NPC1 (0.50) HIF1ANPC1RAB9APOLBALDH1A1
SCHEMBL29411600 0.86 NPC1 (0.50) HIF1ANPC1RAB9APOLBALDH1A1

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 HIF1A 3747/4885NPC1 421/4885RAB9A 959/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB HIF1A 3747/4885NPC1 421/4885RAB9A 959/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB HIF1A 3747/4885NPC1 421/4885RAB9A 959/4885

“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.