SCHEMBL21045514

SCHEMBL21045514

Fc1ccccc1-c1ccc(CCCc2nc(-c3ccccn3)no2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.70
RAB9A P51151 10/20 0.70
SMN1; SMN2 Q16637 9/20 0.70
ALDH1A1 P00352 6/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.51
TSHR P16473 3/20 0.51
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.45
S1PR1 P21453 1/20 0.45
GRM5 P41594 1/20 0.44
FAAH O00519 1/20 0.44
CES1 P23141 1/20 0.44
NCEH1 Q6PIU2 1/20 0.44
DAGLA Q9Y4D2 1/20 0.44

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
SCHEMBL29411507 1.00 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL21100606 0.84 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL21045171 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL29411389 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL21045259 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29411556 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29411568 0.79 L3MBTL1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21045342 0.79 L3MBTL1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21045507 0.76 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29411661 0.76 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1

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 959/4885SMN1; SMN2 1062/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB NPC1 421/4885RAB9A 959/4885SMN1; SMN2 1062/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB NPC1 421/4885RAB9A 959/4885SMN1; SMN2 1062/4885

“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.