SCHEMBL4263585

SCHEMBL4263585

O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 6/20 0.64
POLB P06746 2/20 0.61
KLKB1 P03952 1/20 0.61
PLAU P00749 2/20 0.60
F2 P00734 1/20 0.60
F10 P00742 1/20 0.60
PLG P00747 1/20 0.60
PLAT P00750 1/20 0.60
MAPT P10636 7/20 0.59
KMT2A Q03164 4/20 0.59
ALOX15 P16050 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56

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
SCHEMBL25347296 0.96 P2RX1 (0.60) P2RX1POLBKLKB1PLAUF2
SCHEMBL29617509 0.89 P2RX1 (0.80) P2RX1POLBPLAUF10PLAT
SCHEMBL11932147 0.89 P2RX1 (0.80) P2RX1POLBPLAUF10PLAT
SCHEMBL8564166 0.88 KMT2A (0.61) P2RX1POLBPLAUF10PLAT
Hydrochloric Acid SCHEMBL28026545 0.88 P2RX1 (0.78) P2RX1POLBPLAUF10PLAT
SCHEMBL25350758 0.85 P2RX1 (0.74) P2RX1POLBPLAUF10PLAT
SCHEMBL25350049 0.84 MAPT (0.61) P2RX1POLBPLAUF10PLAT
SCHEMBL25348210 0.84 POLB (0.59) P2RX1POLBPLAUF10PLAT
SCHEMBL2061203 0.83 P2RX1 (0.71) P2RX1POLBPLAUF10PLAT
SCHEMBL25350302 0.83 KMT2A (0.58) POLBPLAUF10PLATMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614205-B2 Glutamate receptor modulators and therapeutic agents WOOD RICHARD D (US) 2013-12-24 US disclosed
US-20130150416-A1 Glutamate receptor modulators and therapeutic agents WOOD RICHARD D (US) 2013-06-13 US disclosed
US-8211882-B2 Glutamate receptor modulators and therapeutic agents WOOD RICHARD DELAREY (US) 2012-07-03 US disclosed
US-20090239919-A1 Glutamate receptor modulators and therapeutic agents WOOD RICHARD DELAREY 2009-09-24 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 (2 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-20090239919-A1 Glutamate receptor modulators and therapeutic agents GRM5, GRM1, GRIK5 P2RX1 542/4885POLB 4804/4885KLKB1 4550/4885
US-20130150416-A1 Glutamate receptor modulators and therapeutic agents GRM5, GRM1, GRIK5 P2RX1 365/4885POLB 4829/4885KLKB1 4478/4885

“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.