SCHEMBL4847138

SCHEMBL4847138

COc1ccc2c(c1)C(=CC(=O)c1ccc([N+](=O)[O-])cc1)NC(C)(C)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 4/20 0.40
MAPK1 P28482 3/20 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
SCHEMBL4847125 1.00 MAOA (0.47) MAOAMAOBALDH1A1MAPTNPC1
SCHEMBL4842456 0.92 ALOX5 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4842463 0.92 ALOX5 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4842624 0.90 ALDH1A1 (0.49) ALDH1A1MAPTNPC1KMT2AMEN1
SCHEMBL4842612 0.90 ALDH1A1 (0.49) ALDH1A1MAPTNPC1KMT2AMEN1
SCHEMBL4840963 0.90 SMN1; SMN2 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4840956 0.90 SMN1; SMN2 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4844461 0.89 KMT2A (0.58) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4844456 0.89 KMT2A (0.58) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4835711 0.88 MAOB (0.43) MAOAMAOBALDH1A1MAPTNPC1

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 MAOA 967/4885MAOB 566/4885ALDH1A1 2636/4885

“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.