SCHEMBL4934801

SCHEMBL4934801

O=C(Nc1cccnc1)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MEN1 O00255 4/20 0.66
MAPT P10636 7/20 0.63
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MCL1 Q07820 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
FASN P49327 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL4933867 0.90 MEN1 (0.77) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4942439 0.89 KMT2A (0.70) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL3951989 0.84 MAPT (0.52) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4930508 0.84 GAA (0.49) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4927889 0.82 MEN1 (0.69) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL18092686 0.80 MEN1 (0.79) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL18104687 0.80 MEN1 (1.00) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL3944802 0.78 MAPT (1.00) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL18104759 0.77 MEN1 (0.78) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL18092663 0.77 MEN1 (0.74) KMT2AMEN1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 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 (2 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-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY2, ADCY5 KMT2A 4518/4885MEN1 712/4885MAPT 4671/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 KMT2A 4518/4885MEN1 712/4885MAPT 4671/4885

“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.