SCHEMBL21045396

SCHEMBL21045396

O=C(NCCCc1ccc(-c2ccccc2F)cc1)c1ncccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRIA4 P48058 1/20 0.44
NAMPT P43490 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
EPHX2 P34913 1/20 0.43
HTR3A P46098 1/20 0.43
ASAH1 Q13510 1/20 0.42

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
SCHEMBL29411495 1.00 HIF1A (0.50) HIF1AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL29411417 0.85 ALDH1A1 (0.48) HIF1AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL21045473 0.85 ALDH1A1 (0.48) HIF1AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL21045225 0.84 SMN1; SMN2 (0.49) HIF1AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL29411490 0.84 SMN1; SMN2 (0.49) HIF1AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL21045136 0.83 HDAC3 (0.50) HIF1AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL29411455 0.83 HDAC3 (0.50) HIF1AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL21045096 0.83 HIF1A (0.54) HIF1AALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL29411508 0.83 HIF1A (0.54) HIF1AALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL21045178 0.82 KDM4E (0.55) HIF1AALDH1A1MAPTKMT2ANPC1

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 3747/4885ALDH1A1 3048/4885SMN1; SMN2 1062/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB HIF1A 3747/4885ALDH1A1 3048/4885SMN1; SMN2 1062/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB HIF1A 3747/4885ALDH1A1 3048/4885SMN1; SMN2 1062/4885

“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.