SCHEMBL6443373

SCHEMBL6443373

CCc1c([N+](=O)[O-])c(C(N)=O)nn1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
PLA2G2A P14555 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 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
Bicarbonate SCHEMBL7386268 0.96 ALDH1A1 (0.42) ALDH1A1PLA2G2AMEN1KMT2ACYP3A4
Bicarbonate SCHEMBL7386267 0.96 ALDH1A1 (0.42) ALDH1A1PLA2G2AMEN1KMT2ACYP3A4
Bicarbonate SCHEMBL7386270 0.96 ALDH1A1 (0.42) ALDH1A1PLA2G2AMEN1KMT2ACYP3A4
SCHEMBL6200741 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL6442557 0.82 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6442051 0.81 PTGDR2 (0.46) ALDH1A1MEN1KMT2APTGDR2SMN1; SMN2
SCHEMBL6448402 0.81 CTDSP1 (0.37) ALDH1A1PLA2G2AMEN1KMT2ASMN1; SMN2
SCHEMBL6445203 0.81 CSF1R (0.35) ALDH1A1PLA2G2AKMT2ASMN1; SMN2LMNA
SCHEMBL27492967 0.79 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3580899 0.79 ALDH1A1 (0.38) ALDH1A1PLA2G2AKMT2ACYP3A4PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1495169-A Pyridine-3-carboxylic acid derivative 2004-05-12 CN disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 EP disclosed
US-6458951-B2 FOR TREATMENT OF MALE ERECTILE DYSFUNCTION, FEMALE SEXUAL DYSFUNCTION PFIZER INC 2002-10-01 US disclosed
US-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 US disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US 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-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B ALDH1A1 254/4885PLA2G2A 2997/4885MEN1 4096/4885

“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.