SCHEMBL902

SCHEMBL902

CCCc1n[nH]c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
HCAR2 Q8TDS4 6/20 0.37
GAA P10253 1/20 0.34
FBP1 P09467 3/20 0.33
HCAR3 P49019 2/20 0.33
ALPL P05186 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 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
SCHEMBL27468546 0.91 HCAR2 (0.40) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL3575824 0.87 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL1070 0.86 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
Methane SCHEMBL28911261 0.86 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL27596057 0.84 KDM4C (0.43) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL3830795 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL4744537 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL6632512 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL27468545 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL5416943 0.76 MAPT (0.36) SMN1; SMN2ALDH1A1MAPTGAAALPL

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PFIZER INC 2006-12-28 US disclosed
CN-1281588-C Novel intermediate for prepn. of pyrazolopyrimidinones PFIZER (US) 2006-10-25 CN disclosed
CN-1229349-C Pyridine-3-carboxylic acid derivative PFIZER (US) 2005-11-30 CN disclosed
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP 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
EP-1305314-B1 CRYSTALLINE THERAPEUTIC AGENT PFIZER LTD (GB) 2005-01-12 EP 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-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 WO 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
US-5719283-A INHIBITORS OF PHOSPHODIESTERASES; CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1998-02-17 US disclosed
CN-1028758-C Pyrazolopyrimidinone antianginal agents PFIZER (US) 1995-06-07 CN disclosed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP disclosed
CN-1057464-A Pyrazolopyrimidinoneantianginal antianginal agents PFIZER (US) 1992-01-01 CN 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-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B SMN1; SMN2 1628/4885ALDH1A1 758/4885MAPT 3997/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B SMN1; SMN2 1628/4885ALDH1A1 758/4885MAPT 3997/4885

“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.