SCHEMBL1338034

SCHEMBL1338034

COc1ccc2nc(C)ccc2c1I

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA1 P30542 1/20 0.42
TDO2 P48775 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PDE10A Q9Y233 4/20 0.39
TERT O14746 1/20 0.39
PTPN11 Q06124 1/20 0.38
DOT1L Q8TEK3 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
NQO2 P16083 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL12132126 0.81 ADORA1 (0.44) POLBMEN1KMT2AADORA1TDO2
SCHEMBL1337919 0.79 MEN1 (0.44) POLBMEN1KMT2AADORA1TDO2
SCHEMBL14047245 0.79 ADORA1 (0.42) POLBMEN1KMT2AADORA1TDO2
SCHEMBL1336745 0.79 ADORA1 (0.42) POLBMEN1KMT2AADORA1TDO2
SCHEMBL1336866 0.79 TDO2 (0.62) POLBMEN1KMT2AADORA1TDO2
SCHEMBL1337699 0.77 ALDH1A1 (0.37) POLBMEN1KMT2ATDO2ALDH1A1
SCHEMBL5634421 0.75 PDE10A (0.39) POLBMEN1KMT2AADORA1TDO2
SCHEMBL16920631 0.75 MCHR1 (0.39) ADORA1ALDH1A1
SCHEMBL24204824 0.74 LMNA (0.44) POLBMEN1KMT2AADORA1ALDH1A1
SCHEMBL15549942 0.74 KMT2A (0.47) POLBMEN1KMT2AALDH1A1LMNA

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 POLB 1034/4885MEN1 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.