SCHEMBL3575824

SCHEMBL3575824

CCc1n[nH]c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
FBP1 P09467 4/20 0.37
GAA P10253 1/20 0.35
HCAR2 Q8TDS4 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL902 0.87 SMN1; SMN2 (0.43) ALDH1A1MAPTCASP7CASP6FBP1
SCHEMBL27848584 0.85 MAPT (0.35) ALDH1A1MAPTCASP7CASP6GAA
SCHEMBL1527741 0.85 SMN1; SMN2 (0.41) ALDH1A1MAPTCASP7CASP6GAA
SCHEMBL27468546 0.84 HCAR2 (0.40) ALDH1A1MAPTCASP7CASP6GAA
SCHEMBL11340041 0.77 MAPT (0.42) ALDH1A1MAPTCASP7CASP6GAA
SCHEMBL7426695 0.76 HPGD (0.46) ALDH1A1MAPTGAASMN1; SMN2NPC1
SCHEMBL16832298 0.75 MAPT (0.46) ALDH1A1MAPTCASP7CASP6GAA
SCHEMBL331274 0.75 ALDH1A1 (0.36) ALDH1A1MAPTCASP7CASP6FBP1
SCHEMBL16832074 0.75 HCAR2 (0.34) ALDH1A1MAPTCASP7CASP6HCAR2
SCHEMBL9760940 0.74 HTT (0.35) ALDH1A1MAPTCASP7CASP6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037346-A Pyrazol bi-amide compounds containing 1,2,3-thiadiazole and synthetic method and application thereof UNIV CHINA AGRICULTURAL 2015-11-11 CN disclosed
CN-102267986-B Pyrazole bisamide compounds as well as synthesis method and application thereof UNIV CHINA AGRICULTURAL 2014-04-16 CN disclosed
CN-102267986-A Pyrazole bisamide compounds as well as synthesis method and application thereof 2011-12-07 CN disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
CN-100383141-C Pyrazolo [4,3-d] pyrimidine derivatives PFIZER (US) 2008-04-23 CN disclosed
CN-100378100-C Pyrazolo(4,3-d)pyrimidine derivatives PFIZER (US) 2008-04-02 CN disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
EP-1092720-A2 Process for the preparation of pyrazolo [4,3-d] pyrimidin-7-ones-3-pyridylsulphonyl compounds and intermediates thereof Pfizer Limited (GB) 2001-04-18 EP disclosed
US-6207829-B1 CYCLIZATION OF A CORRESPONDING PYRAZOLE COMPOUND PFIZER INC. 2001-03-27 US disclosed
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
CN-1255497-A Process for preparing pyrazolo [4, 3-d ] pyrimidin-7-ones and intermediates thereof PFIZER RES & DEV (IE) 2000-06-07 CN 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-0995750-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed
EP-0994115-A2 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2000-04-19 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

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-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B ALDH1A1 758/4885MAPT 3997/4885CASP7 1785/4885

“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.