SCHEMBL6339999

SCHEMBL6339999

CCCc1nn(Cc2ccccc2)c(C(=O)OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.42
TDP1 Q9NUW8 4/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
COMT P21964 1/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 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
Benzyl Bromide SCHEMBL7350277 0.95 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2PTGDR2TDP1
SCHEMBL6403255 0.87 SMN1; SMN2 (0.50) ALDH1A1KMT2ASMN1; SMN2PTGDR2MAPK1
SCHEMBL6338203 0.84 SMN1; SMN2 (0.60) ALDH1A1KMT2ASMN1; SMN2PTGDR2MAPK1
SCHEMBL14124978 0.79 MAPK1 (0.57) ALDH1A1KMT2ASMN1; SMN2TDP1MAPK1
SCHEMBL9912563 0.74 MAPK1 (0.47) ALDH1A1KMT2ASMN1; SMN2TDP1MAPK1
SCHEMBL6995149 0.74 SMN1; SMN2 (0.52) ALDH1A1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL30438703 0.73 KMT2A (0.54) ALDH1A1KMT2ASMN1; SMN2TDP1LMNA
SCHEMBL6995156 0.71 SMN1; SMN2 (0.51) ALDH1A1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL6338207 0.69 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2PTGDR2MAPK1
SCHEMBL20400945 0.68 KMT2A (0.55) ALDH1A1KMT2ASMN1; SMN2TDP1SLC6A2

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 7 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

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 ALDH1A1 266/4885KMT2A 4191/4885SMN1; SMN2 2110/4885

“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.