SCHEMBL6444665

SCHEMBL6444665

CCCOc1ncccc1C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 5/20 0.52
PKM P14618 1/20 0.49
MAP2K1 Q02750 1/20 0.48
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL7396626 0.88 ALDH1A1 (0.53) TDP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL7239484 0.86 L3MBTL1 (0.62) TDP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL1671161 0.83 KDM4E (0.52) TDP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL311206 0.83 TDP1 (0.69) TDP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL29786652 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL3729269 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL22235655 0.80 TDP1 (0.57) TDP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL29173176 0.78 L3MBTL1 (0.60) TDP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL15662188 0.77 TDP1 (0.61) TDP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL17714455 0.77 TDP1 (0.50) TDP1ALDH1A1SMN1; SMN2MAPTHTT

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
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US 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 TDP1 175/4885ALDH1A1 254/4885SMN1; 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.