SCHEMBL6442398

SCHEMBL6442398

CCc1c(NC(=O)c2cc([N+](=O)[O-])cnc2OCCOC)c(C(N)=O)nn1Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
PDE5A O76074 4/20 0.38
PDE6C P51160 2/20 0.38
ALDH1A1 P00352 3/20 0.35
PKM P14618 2/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
NR3C1 P04150 1/20 0.33
GRM4 Q14833 1/20 0.33
KCNMA1 Q12791 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL6446798 0.89 PDE5A (0.39) KMT2AMEN1PDE5APDE6CALDH1A1
SCHEMBL6447286 0.87 MEN1 (0.39) KMT2AMEN1TDP1POLBPDE5A
SCHEMBL6332714 0.83 AURKA (0.40) KMT2AMEN1PDE5APDE6CMAPT
SCHEMBL6356420 0.82 PDE5A (0.38) KMT2AMEN1PDE5APDE6CALDH1A1
SCHEMBL3579254 0.82 PDE5A (0.46) KMT2AMEN1POLBPDE5AALDH1A1
SCHEMBL6200684 0.81 PDE5A (0.60) KMT2APDE5APDE6C
SCHEMBL7797263 0.79 KMT2A (0.37) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL7240689 0.78 RXFP1 (0.47) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL6443425 0.76 PDE5A (0.56) KMT2AMEN1TDP1POLBPDE5A
SCHEMBL6450443 0.76 PDE5A (0.49) KMT2AMEN1POLBPDE5AALDH1A1

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 5 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-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 KMT2A 4533/4885MEN1 4096/4885TDP1 175/4885

“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.