SCHEMBL21045401

SCHEMBL21045401

O=C(NCCCc1ccc(-c2ccccc2F)cc1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HIF1A Q16665 1/20 0.46
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
NAMPT P43490 2/20 0.43
SCN9A Q15858 2/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 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
SCHEMBL29411472 1.00 MLYCD (0.47) MLYCDNPC1RAB9AHIF1AEPHX2
SCHEMBL21235030 0.87 EPHX2 (0.52) MLYCDNPC1RAB9AHIF1AEPHX2
SCHEMBL21045430 0.86 NPC1 (0.50) MLYCDNPC1RAB9AHIF1AEPHX2
SCHEMBL29411600 0.86 NPC1 (0.50) MLYCDNPC1RAB9AHIF1AEPHX2
SCHEMBL21045178 0.85 KDM4E (0.55) NPC1RAB9AHIF1AEPHX2ALDH1A1
SCHEMBL29411410 0.85 KDM4E (0.55) NPC1RAB9AHIF1AEPHX2ALDH1A1
SCHEMBL21045235 0.85 NAMPT (0.56) MLYCDNPC1RAB9AHIF1AEPHX2
SCHEMBL29411412 0.85 NAMPT (0.56) MLYCDNPC1RAB9AHIF1AEPHX2
SCHEMBL21045331 0.83 HIF1A (0.49) MLYCDNPC1RAB9AHIF1AEPHX2
SCHEMBL21045443 0.83 HIF1A (0.49) MLYCDNPC1RAB9AHIF1AEPHX2

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 6 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-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 MLYCD 2670/4885NPC1 421/4885RAB9A 959/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB MLYCD 2670/4885NPC1 421/4885RAB9A 959/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB MLYCD 2670/4885NPC1 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.