SCHEMBL6403255

SCHEMBL6403255

CCCc1nn(Cc2ccccc2)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 6/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39

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
SCHEMBL6338203 0.91 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1POLBMAPTTHRB
SCHEMBL6339999 0.87 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1POLBMAPTCYP3A4
SCHEMBL1196 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1POLBMAPTTHRB
Benzyl Bromide SCHEMBL7350277 0.82 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1POLBCYP3A4KMT2A
SCHEMBL6711341 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1POLBMAPTKMT2A
SCHEMBL6995156 0.78 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1POLBMAPTTHRB
SCHEMBL1115 0.76 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL5411887 0.76 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1POLBMAPTKMT2A
SCHEMBL6338207 0.73 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL6362154 0.73 SMN1; SMN2 (0.63) SMN1; SMN2MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1281588-C Novel intermediate for prepn. of pyrazolopyrimidinones PFIZER (US) 2006-10-25 CN disclosed
US-6916927-B2 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3′,5′-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC. 2005-07-12 US disclosed
CN-1626516-A Novel intermediate for prepn. of pyrazolopyrimidinones PFIZER (US) 2005-06-15 CN disclosed
CN-1188415-C Pyrazolopyrimidinones inhibiting type 5 cyclic guanosine 3',5' -monophosphate phosphodiesterase (cG MP PDE5) for the treatment of sexual dysfunction PFIZER LTD (US) 2005-02-09 CN disclosed
US-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC 2004-09-16 US disclosed
US-6723719-B1 DYSMENORRHOEA, BENIGN PROSTATIC HYPERPLASIA (BPH), BLADDER OUTLET OBSTRUCTION, INCONTINENCE, AGINA, CONGESTIVE HEART FAILURE, ATHEROSCLEROSIS; HYPOTENSIVE AND ANTIALLERGEN AGENTS PFIZER INC 2004-04-20 US disclosed
CN-1253561-A Pyrazolopyrimidinones inhibiting type 5 cyclic guanosine 3',5' -monophosphate phosphodiesterase (cGMP PDE5) for the treatment of sexual dysfunction PFIZER LTD (US) 2000-05-17 CN disclosed
EP-0977756-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2000-02-09 EP disclosed
WO-1998049166-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 1998-11-05 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-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B SMN1; SMN2 2110/4885ALDH1A1 266/4885POLB 2681/4885

“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.