SCHEMBL21045274

SCHEMBL21045274

Fc1ccccc1-c1ccc(CCc2noc(-c3cccc4cn[nH]c34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
NPC1 O15118 9/20 0.38
RAB9A P51151 9/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
KMT2A Q03164 3/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
MAPK1 P28482 3/20 0.38
PKM P14618 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.37
NMT1 P30419 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRL1 P41146 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL29411362 1.00 TRPA1 (0.41) TRPA1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL29411449 0.77 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL21045237 0.77 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL21045440 0.76 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL29411633 0.76 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL31722116 0.66 NOS1 (0.50) TRPA1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL4752843 0.65 NOS1 (0.53) SMN1; SMN2L3MBTL1KMT2AMEN1MAPT
SCHEMBL12072153 0.63 NPC1 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL18610908 0.63 NPC1 (0.58) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL3519434 0.63 NOS1 (0.59) TRPA1SMN1; SMN2L3MBTL1KMT2AMAPK1

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 TRPA1 4570/4885NPC1 421/4885RAB9A 959/4885
US-11040945-B2 Tubulin inhibitors TUBB3, TUBB1, TUBB TRPA1 4570/4885NPC1 421/4885RAB9A 959/4885
US-20190169127-A1 TUBULIN INHIBITORS TUBB3, TUBB1, TUBB TRPA1 4570/4885NPC1 421/4885RAB9A 959/4885

“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.