SCHEMBL5481632

SCHEMBL5481632

O=c1ccn(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.52
AKR1B10 O60218 1/20 0.52
AKR1B1 P15121 1/20 0.52
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
AR P10275 3/20 0.47
CFTR P13569 1/20 0.46
DBH P09172 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL9453625 0.86 KMT2A (0.54) P2RX4KMT2AMEN1DBHCYP1A2
SCHEMBL5800712 0.85 HPGD (0.49) P2RX4AKR1B10AKR1B1KMT2AMEN1
SCHEMBL5482630 0.80 HPGD (0.49) AKR1B10AKR1B1KMT2AMEN1CYP2C19
SCHEMBL5800407 0.79 KMT2A (0.44) P2RX4KMT2AMEN1ARDBH
SCHEMBL5474617 0.77 ALDH1A1 (0.61) P2RX4KMT2AMEN1DBHCYP1A2
SCHEMBL16880622 0.77 P2RX4 (0.52) P2RX4KMT2AMEN1DBHCYP1A2
SCHEMBL5475973 0.76 ALDH1A1 (0.49) P2RX4KMT2AMEN1DBHCYP1A2
SCHEMBL5797003 0.76 HTT (0.44) KMT2AMEN1CYP1A2CYP2C19POLB
SCHEMBL7467639 0.75 AKR1B10 (0.54) AKR1B10AKR1B1KMT2AMEN1POLB
SCHEMBL7460226 0.75 AKR1B10 (0.66) AKR1B10AKR1B1KMT2AMEN1POLB

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-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-11 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-20070010529-A1 Nitrogenous heterocyclic compounds and medical use thereof MAPK1, NOS1, NOS2 P2RX4 672/4885AKR1B10 1316/4885AKR1B1 787/4885

“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.