SCHEMBL5482630

SCHEMBL5482630

Nc1ccc(Cn2ccc(=O)n(Cc3ccccc3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
HTR6 P50406 1/20 0.49
CYP3A4 P08684 2/20 0.46
ADORA2A P29274 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIK3 Q13003 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK14 Q16539 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5800712 0.91 HPGD (0.49) HPGDCYP3A4AKR1B10AKR1B1CYP2D6
SCHEMBL5481632 0.80 P2RX4 (0.52) AKR1B10AKR1B1CYP2C19MEN1KMT2A
SCHEMBL25433184 0.78 MAPT (0.51) CYP3A4AKR1B10AKR1B1CYP2C19KMT2A
SCHEMBL7830409 0.76 MAPK14 (0.44) HPGDCYP3A4CYP2D6MEN1KMT2A
SCHEMBL4494422 0.76 MAPK14 (0.46) HPGDCYP3A4ADORA2ACYP2D6MEN1
SCHEMBL7750738 0.76 HPGD (0.51) HPGDCYP3A4MEN1KMT2AGSK3A
SCHEMBL5477811 0.74 HTR6 (0.41) HTR6CYP2D6MEN1KMT2AALDH1A1
SCHEMBL16881558 0.74 POLB (0.54) HTR6ALDH1A1
SCHEMBL5480233 0.73 HTR6 (0.43) HTR6CYP2D6KMT2AALDH1A1
SCHEMBL4488624 0.72 YTHDC1 (0.44) HPGDCYP3A4HSD17B10MAPK14ALDH1A1

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 HPGD 31/4885HTR6 1538/4885CYP3A4 834/4885

“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.