SCHEMBL4383909

SCHEMBL4383909

O=c1c2cccc([N+](=O)[O-])c2ccn1C1CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 5/20 0.42
AR P10275 3/20 0.40
POLB P06746 2/20 0.40
CTSB P07858 2/20 0.40
ATM Q13315 1/20 0.40
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
S1PR4 O95977 1/20 0.37
MAPT P10636 1/20 0.37
S1PR1 P21453 1/20 0.37
ACHE P22303 1/20 0.36
PNMT P11086 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
SCHEMBL1895103 0.94 GAA (0.60) GAATDP1KMT2AMEN1ALDH1A1
SCHEMBL4378457 0.84 GAA (0.49) GAATDP1KMT2AMEN1ALDH1A1
SCHEMBL4378946 0.78 GAA (0.51) GAA
SCHEMBL15803824 0.78 RECQL (0.42) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL4383955 0.78 GAA (0.46) GAAALDH1A1MAPT
SCHEMBL16794682 0.77 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPT
SCHEMBL4377234 0.77 PARP1 (0.43) TDP1KMT2AMEN1ALDH1A1POLB
SCHEMBL15910820 0.77 TDP1 (0.47) GAATDP1KMT2AMEN1ALDH1A1
SCHEMBL19586788 0.76 CRBN (0.55) GAATDP1ALDH1A1
SCHEMBL30600396 0.76 CRBN (0.55) GAATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
US-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2009-12-03 US disclosed
EP-1996585-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-03 EP disclosed
WO-2007109154-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 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-20090298825-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 GAA 4090/4885TDP1 2273/4885KMT2A 4592/4885

“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.