SCHEMBL17385337

SCHEMBL17385337

Cn1cc(F)c(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 1/20 0.41
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
HIF1A Q16665 1/20 0.41
MBD2 Q9UBB5 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41

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
SCHEMBL4319645 0.81 MAPT (0.48) MAPTADORA3ADORA2AALDH1A1KMT2A
SCHEMBL4179742 0.78 ACHE (0.51) MAPTADORA3ADORA2AALDH1A1KMT2A
SCHEMBL18802969 0.77 KMT2A (0.54) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6617686 0.77 CA12 (0.60) MAPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL21051577 0.75 BRAF (0.46) BRAFMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL17385336 0.75 KEAP1 (0.47) MAPTADORA3ADORA2AALDH1A1KMT2A
SCHEMBL17385335 0.75 MAPT (0.55) MAPTKMT2AMEN1PTGS2SMN1; SMN2
SCHEMBL27260551 0.74 KMT2A (0.44) MAPTADORA3ALDH1A1KMT2AMEN1
SCHEMBL27776835 0.73 MEN1 (0.58) MAPTADORA3ADORA2AALDH1A1KMT2A
SCHEMBL5094894 0.71 MAP4K4 (0.50) MAPTADORA3ADORA2AKMT2AMEN1

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-20170121349-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2017-05-04 US disclosed
WO-2015193506-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-12-23 WO 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-20170121349-A1 Anti-Infective Compounds FNTB, LSS, PGLS MAPT 2813/4885ADORA3 4240/4885ADORA2A 4568/4885

“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.