SCHEMBL6445203

SCHEMBL6445203

CCc1c([N+](=O)[O-])c(C(N)=O)nn1Cc1cccc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 6/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
NR3C1 P04150 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G2A P14555 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL6443509 0.86 CSF1R (0.37) CSF1RSMN1; SMN2MAPTPLA2G2AKMT2A
SCHEMBL6200741 0.83 ALDH1A1 (0.39) ALDH1A1KMT2A
SCHEMBL6448402 0.83 CTDSP1 (0.37) ALDH1A1SMN1; SMN2MAPTPLA2G2AKMT2A
SCHEMBL6443373 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTPLA2G2A
Bicarbonate SCHEMBL7386267 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTPLA2G2A
Bicarbonate SCHEMBL7386268 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTPLA2G2A
Bicarbonate SCHEMBL7386270 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTPLA2G2A
SCHEMBL6442557 0.77 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL6446531 0.75 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL27492967 0.75 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2HTTLMNAMAPT

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 10 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
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 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 (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 CSF1R 3053/4885ALDH1A1 254/4885GLA 2915/4885

“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.