SCHEMBL1336754

SCHEMBL1336754

COc1cc(-c2ccc3c([N+](=O)[O-])c(OC)ccc3n2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BRD4 O60885 1/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
MCL1 Q07820 1/20 0.43

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
SCHEMBL12130420 0.87 PDE5A (0.41) TDO2MEN1KMT2ABRD4MCL1
SCHEMBL1336849 0.80 MEN1 (0.43) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL1335625 0.79 POLB (0.47) MEN1KMT2ABRD4TYMSMAPT
SCHEMBL1335624 0.79 TUBB4A (0.44) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL1335790 0.79 TDO2 (0.49) TDO2MEN1KMT2ABRD4ALDH1A1
SCHEMBL1335779 0.78 ALDH1A1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1336870 0.78 POLB (0.41) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL1335613 0.76 ALDH1A1 (0.69) MEN1KMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL1335787 0.75 MEN1 (0.51) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL4602879 0.74 KDM4E (0.59) MEN1KMT2AALDH1A1KDM4EMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275643-A1 AROYLQUINOLINE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-11-10 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 (1 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-20110275643-A1 AROYLQUINOLINE COMPOUNDS TUBA1C, TUBB1, TUBB3 TDO2 3895/4885MEN1 2570/4885KMT2A 1581/4885

“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.