SCHEMBL7797263

SCHEMBL7797263

CCc1c(NC(=O)c2cc([N+](=O)[O-])cnc2OCCOC)c(C(=O)NC)nn1-c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 5/20 0.34
PKM P14618 2/20 0.34
LMNA P02545 4/20 0.34
RORC P51449 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 2/20 0.34
GRM4 Q14833 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6442398 0.79 KMT2A (0.40) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL3579254 0.70 PDE5A (0.46) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6450443 0.69 PDE5A (0.49) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL6447286 0.68 MEN1 (0.39) KMT2AMEN1TDP1POLBALDH1A1
SCHEMBL6443470 0.67 MAPT (0.43) KMT2AMEN1ALDH1A1MAPK1KDM4E
SCHEMBL6446798 0.67 PDE5A (0.39) KMT2AMEN1ALDH1A1MAPK1GRM4
Nitric Acid SCHEMBL7835145 0.66 MAPT (0.40) KMT2AMEN1ALDH1A1MAPK1KDM4E
SCHEMBL7002706 0.66 MAPT (0.42) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6442334 0.65 MAPT (0.48) KMT2AMEN1POLBALDH1A1KDM4E
Nitric Acid SCHEMBL7392245 0.65 MAPT (0.46) KMT2AMEN1POLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 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.