SCHEMBL6446531

SCHEMBL6446531

CCCc1c([N+](=O)[O-])c(C(N)=O)nn1Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
PDE5A O76074 1/20 0.38
PDE6C P51160 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.36
MGMT P16455 1/20 0.36
ADRA1D P25100 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIRT1 Q96EB6 1/20 0.34

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
Hydrochloric Acid SCHEMBL7394668 0.94 SMN1; SMN2 (0.36) SMN1; SMN2PDE5APDE6CALDH1A1KDM4E
SCHEMBL6200741 0.91 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL6444533 0.86 SMN1; SMN2 (0.39) SMN1; SMN2PKML3MBTL1
SCHEMBL6200427 0.83 USP2 (0.42) PDE5APDE6CALDH1A1KDM4EKMT2A
SCHEMBL7004394 0.83 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6446672 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6443430 0.79 SMN1; SMN2 (0.42) SMN1; SMN2PDE5AALDH1A1KMT2AMEN1
SCHEMBL7003298 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL6448402 0.77 CTDSP1 (0.37) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6447286 0.77 MEN1 (0.39) PDE5APDE6CALDH1A1KMT2AMEN1

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
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
US-6670366-B1 Cyclic guanosine 3',5'-monophosphate phosphodiesterase inhibitors; impotence; pyrazolo(4,3-d)pyrimidin-7-ones PFIZER INC 2003-12-30 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
EP-0995750-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP 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 SMN1; SMN2 1854/4885PDE5A 1/4885PDE6C 21/4885

“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.