SCHEMBL21045508

SCHEMBL21045508

Fc1ccccc1-c1ccc(CCCc2nc(C3CC3)no2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARG P37231 2/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.38
GRIA4 P48058 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL29411638 1.00 L3MBTL1 (0.46) L3MBTL1ALOX5APFEN1MEN1KMT2A
SCHEMBL29411438 0.93 ALOX5AP (0.41) L3MBTL1ALOX5APFEN1MEN1KMT2A
SCHEMBL21045107 0.93 ALOX5AP (0.41) L3MBTL1ALOX5APFEN1MEN1KMT2A
SCHEMBL21100613 0.83 ALOX5AP (0.37) L3MBTL1ALOX5APFEN1MEN1KMT2A
SCHEMBL21045171 0.77 NPC1 (0.57) L3MBTL1KMT2AALDH1A1ATMTDP1
SCHEMBL29411389 0.77 NPC1 (0.57) L3MBTL1KMT2AALDH1A1ATMTDP1
SCHEMBL29411507 0.75 NPC1 (0.70) L3MBTL1ALDH1A1ATMTDP1HPGD
SCHEMBL21045514 0.75 NPC1 (0.70) L3MBTL1ALDH1A1ATMTDP1HPGD
SCHEMBL21045259 0.74 NPC1 (0.62) L3MBTL1KMT2AALDH1A1ATMTDP1
SCHEMBL29411556 0.74 NPC1 (0.62) L3MBTL1KMT2AALDH1A1ATMTDP1

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 2058/4885ALOX5AP 4741/4885FEN1 3330/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB L3MBTL1 2058/4885ALOX5AP 4741/4885FEN1 3330/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB L3MBTL1 2058/4885ALOX5AP 4741/4885FEN1 3330/4885

“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.