SCHEMBL21045342

SCHEMBL21045342

COc1cc(-c2noc(CCCc3ccc(-c4ccccc4F)cc3)n2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.56
MAPK1 P28482 3/20 0.56
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 4/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
S1PR1 P21453 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL29411568 1.00 L3MBTL1 (0.56) L3MBTL1MAPK1LMNATDP1ATM
SCHEMBL21100607 0.86 L3MBTL1 (0.43) L3MBTL1MAPK1LMNATDP1ATM
SCHEMBL21045171 0.82 NPC1 (0.57) L3MBTL1MAPK1LMNATDP1ATM
SCHEMBL29411389 0.82 NPC1 (0.57) L3MBTL1MAPK1LMNATDP1ATM
SCHEMBL21045514 0.79 NPC1 (0.70) L3MBTL1MAPK1LMNATDP1ATM
SCHEMBL29411507 0.79 NPC1 (0.70) L3MBTL1MAPK1LMNATDP1ATM
SCHEMBL29411556 0.78 NPC1 (0.62) L3MBTL1MAPK1LMNATDP1ATM
SCHEMBL21045259 0.78 NPC1 (0.62) L3MBTL1MAPK1LMNATDP1ATM
SCHEMBL21045507 0.77 L3MBTL1 (0.47) L3MBTL1MAPK1LMNATDP1ATM
SCHEMBL29411661 0.77 L3MBTL1 (0.47) L3MBTL1MAPK1LMNATDP1ATM

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 L3MBTL1 2058/4885MAPK1 2169/4885LMNA 2547/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB L3MBTL1 2058/4885MAPK1 2169/4885LMNA 2547/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB L3MBTL1 2058/4885MAPK1 2169/4885LMNA 2547/4885

“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.