SCHEMBL4805012

SCHEMBL4805012

O=C(NO)c1cc2c(CNC3CCOCC3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.41
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
P2RX7 Q99572 3/20 0.38
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37
MAPK14 Q16539 1/20 0.37
PDE9A O76083 2/20 0.37
GRIN2B Q13224 1/20 0.36
CHRM1 P11229 3/20 0.36
FSCN1 Q16658 1/20 0.36
GRM4 Q14833 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
STAT6 P42226 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL4804480 0.89 BCHE (0.42) BCHEACHEBACE1DDR1DDR2
SCHEMBL4805789 0.87 P2RX3 (0.38) P2RX3P2RX7DDR1DDR2MAPK14
SCHEMBL4807266 0.86 BCHE (0.35) BCHEACHEBACE1GRIN2BFSCN1
SCHEMBL4807251 0.86 DGAT2 (0.36) BCHEACHEBACE1MAPK14FSCN1
SCHEMBL4805060 0.85 BCHE (0.37) BCHEACHEBACE1GRIN2BFSCN1
SCHEMBL4809762 0.85 MOK (0.41) DDR1DDR2MAPK14GRIN2BFSCN1
SCHEMBL4808337 0.84 LMNA (0.40) P2RX7DDR1DDR2STAT6
SCHEMBL4807285 0.83 FSCN1 (0.34) BCHEACHEBACE1GRIN2BFSCN1
SCHEMBL4807296 0.83 FSCN1 (0.34) BCHEACHEBACE1GRIN2BFSCN1
SCHEMBL13986820 0.83 FSCN1 (0.34) BCHEACHEBACE1GRIN2BFSCN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO claimed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP P2RX3 4506/4885BCHE 928/4885ACHE 695/4885

“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.