SCHEMBL4844461

SCHEMBL4844461

COc1ccc2c(c1)C(=CC(=O)c1cccc([N+](=O)[O-])c1)NC(C)(C)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 7/20 0.50
ALDH1A1 P00352 6/20 0.50
LMNA P02545 5/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NFE2L2 Q16236 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
NTSR1 P30989 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP2 O95551 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4844456 1.00 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4838226 0.92 MAPT (0.54) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4838218 0.92 MAPT (0.54) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4835473 0.90 MAPT (0.59) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4835479 0.90 MAPT (0.59) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4847125 0.89 MAOA (0.47) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4847138 0.89 MAOA (0.47) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4841603 0.89 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4841615 0.89 KMT2A (0.54) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4840829 0.86 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US claimed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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 (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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 KMT2A 4642/4885MEN1 1230/4885MAPT 646/4885

“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.