SCHEMBL21045171

SCHEMBL21045171

Fc1ccccc1-c1ccc(CCCc2nc(-c3ccncc3)no2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
PKM P14618 1/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
ALDH1A1 P00352 3/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
S1PR1 P21453 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL29411389 1.00 NPC1 (0.57) NPC1RAB9APKMKMT2AL3MBTL1
SCHEMBL29411556 0.88 NPC1 (0.62) NPC1RAB9AKMT2AL3MBTL1ALDH1A1
SCHEMBL21045259 0.88 NPC1 (0.62) NPC1RAB9AKMT2AL3MBTL1ALDH1A1
SCHEMBL21045514 0.84 NPC1 (0.70) NPC1RAB9APKML3MBTL1ALDH1A1
SCHEMBL29411507 0.84 NPC1 (0.70) NPC1RAB9APKML3MBTL1ALDH1A1
SCHEMBL21045342 0.82 L3MBTL1 (0.56) NPC1RAB9AL3MBTL1ALDH1A1ATM
SCHEMBL29411568 0.82 L3MBTL1 (0.56) NPC1RAB9AL3MBTL1ALDH1A1ATM
SCHEMBL21045507 0.80 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1ALDH1A1ATM
SCHEMBL29411661 0.80 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1ALDH1A1ATM
SCHEMBL21045508 0.77 L3MBTL1 (0.46) NPC1RAB9AKMT2AL3MBTL1ALDH1A1

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 NPC1 421/4885RAB9A 959/4885PKM 1331/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB NPC1 421/4885RAB9A 959/4885PKM 1331/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB NPC1 421/4885RAB9A 959/4885PKM 1331/4885

“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.