SCHEMBL3579847

SCHEMBL3579847

CCc1c([N+](=O)[O-])c(C(N)=O)nn1CCOC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.31
GLA P06280 1/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 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
SCHEMBL3573728 0.90 SMN1; SMN2 (0.47) SMN1; SMN2CNR1CNR2POLBKDM4E
SCHEMBL6442557 0.84 SMN1; SMN2 (0.43) SMN1; SMN2CNR1CNR2POLBKDM4E
SCHEMBL3588860 0.83 SMN1; SMN2 (0.36) SMN1; SMN2CNR1CNR2MAPTALDH1A1
SCHEMBL27492967 0.81 SMN1; SMN2 (0.41) SMN1; SMN2CNR1CNR2POLBKDM4E
SCHEMBL28550994 0.80 ALDH1A1 (0.33) CNR1CNR2POLBKDM4EALDH1A1
SCHEMBL3576811 0.80 ALDH1A1 (0.36) CNR1CNR2ALDH1A1CYP1A2
SCHEMBL6200618 0.79 SMN1; SMN2 (0.50) SMN1; SMN2CNR1CNR2POLBKDM4E
SCHEMBL6363517 0.78 GAA (0.46) SMN1; SMN2POLBKDM4EL3MBTL1KMT2A
SCHEMBL3579717 0.77 SMN1; SMN2 (0.52) SMN1; SMN2CNR1CNR2POLBKDM4E
SCHEMBL331219 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CNR1CNR2POLBKDM4E

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 38 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-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
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-1680378-A Pyrazolo(4,3-d)pyrimidine derivatives PFIZER (US) 2005-10-12 CN disclosed
CN-1207297-C Crystalline therapeutic agents PFIZER LTD (US) 2005-06-22 CN disclosed
EP-1222190-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2002-07-17 EP disclosed
US-6420557-B1 FOR THERAPY OF MALE ERECTILE DYSFUNCTION PFIZER INC. 2002-07-16 US disclosed
EP-1220856-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES Pfizer Limited (GB) 2002-07-10 EP disclosed
US-6407259-B1 REACTING DIETHER COMPOUND WITH ACYLATING AGENT COMPRISING ACID ANHYDRIDE OR ACID HALIDE DERIVATIVE TO FORM PYRAZOLE DERIVATIVE PFIZER INC. 2002-06-18 US disclosed
US-20020040140-A1 For therapy of male erectile dysfunction PFIZER INC. 2002-04-04 US disclosed
US-20020022732-A1 Novel process for the preparation of pyrazoles PFIZER INC. 2002-02-21 US disclosed
WO-2002010171-A1 CRYSTALLINE THERAPEUTIC AGENT PFIZER LIMITED (GB) 2002-02-07 WO disclosed
EP-1176142-A1 Process for the preparation of pyrazoles PFIZER INC. (US) 2002-01-30 EP disclosed
WO-2001027112-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2001-04-19 WO disclosed
WO-2001027113-A2 PYRAZOLO `4,3-d! PYRIMIDINE DERIVATIVES PFIZER LIMITED (GB) 2001-04-19 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 (4 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 1628/4885CNR1 1668/4885CNR2 2125/4885
US-20060293347-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS PDE5A, PDE3A, PDE3B SMN1; SMN2 1628/4885CNR1 1668/4885CNR2 2125/4885
US-20020022732-A1 Novel process for the preparation of pyrazoles NAT1, CYP2F1, CYP51A1 SMN1; SMN2 4419/4885CNR1 2587/4885CNR2 2454/4885
US-20020040140-A1 For therapy of male erectile dysfunction PDE3A, PDE5A, PDE3B SMN1; SMN2 1200/4885CNR1 1439/4885CNR2 991/4885

“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.