SCHEMBL4038517

SCHEMBL4038517

COC(=O)c1n[nH]c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.40
STAT3 P40763 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 7/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
PKM P14618 2/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL27642437 0.92 KDM4C (0.54) KDM4CSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL331623 0.92 KDM4C (0.61) KDM4CSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL331274 0.84 ALDH1A1 (0.36) KDM4CSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL14441199 0.82 KDM4C (0.50) KDM4CSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL1558734 0.80 KDM4C (0.50) KDM4CSMN1; SMN2ALDH1A1KDM4ESTAT3
SCHEMBL29157189 0.79 KDM4E (0.38) KDM4CALDH1A1KDM4EMAPTMEN1
SCHEMBL31616846 0.77 KDM4C (0.47) KDM4CSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL2911328 0.76 KDM4C (0.46) KDM4CSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL16919030 0.76 KDM4C (0.62) KDM4CSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL11340041 0.76 MAPT (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109627235-B High-energy insensitive energetic compound and synthesis method thereof 南京理工大学 2020-12-04 CN disclosed
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 EP disclosed
US-20080194591-A1 Phosphodiesterase inhibitor PFIZER INC. 2008-08-14 US disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
CN-1780841-A 5,7-diaminopyrazolo[4,3-d]pyrimidines useful in the traetment of hypertension PFIZER LTD (GB) 2006-05-31 CN disclosed
US-20050107412-A1 Pharmaceutically active compounds PFIZER INC 2005-05-19 US disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 US disclosed
US-6831074-B2 Inhibitors of cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDES); for use in therapy of sexual disorders PFIZER INC 2004-12-14 US disclosed
EP-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 EP disclosed
EP-1241170-A2 Pyrazolopyrimidine derivatives Pfizer Limited (GB) 2002-09-18 EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed
EP-1123296-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2001-08-16 EP disclosed
WO-2000024745-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2000-05-04 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-20080194591-A1 Phosphodiesterase inhibitor PDE5A, PDE3B, PDE3A KDM4C 369/4885SMN1; SMN2 2071/4885ALDH1A1 696/4885
US-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 KDM4C 3970/4885SMN1; SMN2 2626/4885ALDH1A1 851/4885
US-20050107412-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3B KDM4C 2119/4885SMN1; SMN2 2441/4885ALDH1A1 720/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 KDM4C 3970/4885SMN1; SMN2 2626/4885ALDH1A1 851/4885

“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.