SCHEMBL21045141

SCHEMBL21045141

O=C(NCCCc1ccc(-c2ccccc2F)cc1)c1cncnc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
POLB P06746 2/20 0.50
HIF1A Q16665 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTAFR P25105 3/20 0.46
NAMPT P43490 3/20 0.45
MLYCD O95822 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GRIA4 P48058 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
SCHEMBL29411581 1.00 EPHX2 (0.53) EPHX2NPC1RAB9APOLBHIF1A
SCHEMBL21045242 0.89 EPHX2 (0.70) EPHX2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29411585 0.89 EPHX2 (0.70) EPHX2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21045331 0.86 HIF1A (0.49) EPHX2NPC1RAB9APOLBHIF1A
SCHEMBL29411657 0.86 HIF1A (0.49) EPHX2NPC1RAB9APOLBHIF1A
SCHEMBL21045443 0.86 HIF1A (0.49) EPHX2NPC1RAB9APOLBHIF1A
SCHEMBL29411649 0.86 HIF1A (0.49) EPHX2NPC1RAB9APOLBHIF1A
SCHEMBL29411446 0.86 POLB (0.54) EPHX2NPC1RAB9APOLBHIF1A
SCHEMBL21045556 0.86 POLB (0.54) EPHX2NPC1RAB9APOLBHIF1A
SCHEMBL21235030 0.84 EPHX2 (0.52) EPHX2NPC1RAB9AHIF1ASMN1; SMN2

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 EPHX2 4380/4885NPC1 421/4885RAB9A 959/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB EPHX2 4380/4885NPC1 421/4885RAB9A 959/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB EPHX2 4380/4885NPC1 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.