SCHEMBL6442334

SCHEMBL6442334

CCOC(=O)c1cc([N+](=O)[O-])cnc1OCCOC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
PTGER4 P35408 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CCR6 P51684 2/20 0.43
HPGD P15428 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GLA P06280 1/20 0.42
MEN1 O00255 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
Nitric Acid SCHEMBL7392245 0.96 MAPT (0.46) MAPTPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7246181 0.90 MAPT (0.50) MAPTPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1313734 0.89 MAPT (0.53) MAPTPOLBSMN1; SMN2L3MBTL1ALDH1A1
Nitric Acid SCHEMBL7388296 0.85 MAPT (0.50) MAPTPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6443470 0.85 MAPT (0.43) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL7002706 0.84 MAPT (0.42) MAPTPOLBSMN1; SMN2ALDH1A1RAB9A
Nitric Acid SCHEMBL7835145 0.81 MAPT (0.40) MAPTALDH1A1RAB9ANPC1KMT2A
SCHEMBL6447240 0.81 OPRK1 (0.46) MAPTPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL28403320 0.81 OPRK1 (0.47) MAPTPOLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2332293 0.80 MAPT (0.55) MAPTPOLBSMN1; SMN2ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP 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 MAPT 4805/4885POLB 2145/4885SMN1; SMN2 1854/4885

“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.