SCHEMBL21045338

SCHEMBL21045338

Fc1ccccc1-c1ccc(CCCc2nc(CN3CCOCC3)no2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
CYP2A13 Q16696 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL29411392 1.00 MAPK1 (0.44) MAPK1POLBMEN1KMT2AGAA
SCHEMBL29411460 0.79 CYP3A4 (0.40) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21045552 0.79 CYP3A4 (0.40) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21045107 0.77 ALOX5AP (0.41) MAPK1POLBMEN1KMT2ANPC1
SCHEMBL29411438 0.77 ALOX5AP (0.41) MAPK1POLBMEN1KMT2ANPC1
SCHEMBL21045508 0.74 L3MBTL1 (0.46) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL29411638 0.74 L3MBTL1 (0.46) MAPK1MEN1KMT2ANPC1RAB9A
SCHEMBL21045171 0.72 NPC1 (0.57) MAPK1KMT2ANPC1RAB9AALDH1A1
SCHEMBL29411389 0.72 NPC1 (0.57) MAPK1KMT2ANPC1RAB9AALDH1A1
SCHEMBL21045514 0.70 NPC1 (0.70) MAPK1POLBNPC1RAB9AALDH1A1

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 MAPK1 2169/4885POLB 350/4885MEN1 955/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB MAPK1 2169/4885POLB 350/4885MEN1 955/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB MAPK1 2169/4885POLB 350/4885MEN1 955/4885

“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.