SCHEMBL6448402

SCHEMBL6448402

CCc1c([N+](=O)[O-])c(C(N)=O)nn1Cc1cccnn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.37
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GRIN1 Q05586 8/20 0.32
GRIN2B Q13224 8/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.31
PLA2G2A P14555 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6444533 0.92 SMN1; SMN2 (0.39) CTDSP1CYP1A2SMN1; SMN2GRIN1GRIN2B
SCHEMBL6200741 0.86 ALDH1A1 (0.39) CYP1A2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6806341 0.83 CTDSP1 (0.38) CTDSP1CYP1A2GRIN1GRIN2BBRD4
SCHEMBL6445203 0.83 CSF1R (0.35) SMN1; SMN2MAPTPLA2G2AKMT2AALDH1A1
SCHEMBL6443373 0.81 ALDH1A1 (0.44) CYP1A2SMN1; SMN2MAPTPLA2G2AMEN1
SCHEMBL6444199 0.80 SMN1; SMN2 (0.43) CTDSP1CYP1A2SMN1; SMN2GRIN1GRIN2B
SCHEMBL6443509 0.80 CSF1R (0.37) CTDSP1SMN1; SMN2GRIN1GRIN2BL3MBTL1
Bicarbonate SCHEMBL7386270 0.78 ALDH1A1 (0.42) CYP1A2SMN1; SMN2MAPTPLA2G2AMEN1
Bicarbonate SCHEMBL7386267 0.78 ALDH1A1 (0.42) CYP1A2SMN1; SMN2MAPTPLA2G2AMEN1
Bicarbonate SCHEMBL7386268 0.78 ALDH1A1 (0.42) CYP1A2SMN1; SMN2MAPTPLA2G2AMEN1

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
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 EP disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 US disclosed
US-6458951-B2 FOR TREATMENT OF MALE ERECTILE DYSFUNCTION, FEMALE SEXUAL DYSFUNCTION PFIZER INC 2002-10-01 US disclosed
US-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 US disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US disclosed
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 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 (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-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B CTDSP1 2619/4885CYP1A2 122/4885SMN1; SMN2 1854/4885
US-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A CTDSP1 1555/4885CYP1A2 429/4885SMN1; SMN2 2159/4885

“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.