SCHEMBL3510164

SCHEMBL3510164

COC(=O)c1cccc(Cn2ncc3cc([N+](=O)[O-])ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.50
MAPT P10636 2/20 0.49
ABHD6 Q9BV23 1/20 0.49
ELANE P08246 4/20 0.46
F2 P00734 3/20 0.46
PLAU P00749 3/20 0.46
CTRB1 P17538 3/20 0.46
KLKB1 P03952 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
MAPK10 P53779 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL3506368 0.87 GLS (0.54) GLSADORA2AADORA1ALDH1A1POLB
SCHEMBL3507482 0.85 GLS (0.47) GLSMAPTMEN1KMT2AALDH1A1
SCHEMBL3376313 0.83 GLS (0.54) GLSMAPTABHD6ADORA2AMEN1
SCHEMBL656851 0.82 GLS (0.48) GLSMAPTELANEF2PLAU
SCHEMBL3506950 0.81 PLAU (0.48) MAPTELANEF2PLAUCTRB1
SCHEMBL9478940 0.80 NPC1 (0.50) GLSMAPTELANEF2PLAU
SCHEMBL1728790 0.80 GLS (0.64) GLSMAPTALDH1A1
SCHEMBL217553 0.79 GLS (0.57) GLSMAPTADORA2AADORA1MEN1
SCHEMBL30729901 0.79 GLS (0.57) GLSMAPTADORA2AADORA1MEN1
SCHEMBL31632909 0.79 EPHX2 (0.61) MAPTABHD6EPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216788-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
CN-101370812-A Fused heterocyclic compound TAKEDA PHARMACEUTICAL (JP) 2009-02-18 CN 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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND GRK6, FGFR1, PTK6 GLS 3189/4885MAPT 4440/4885ABHD6 2412/4885

“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.