SCHEMBL1749577

SCHEMBL1749577

O=C(O)NC1CN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 4/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 3/20 0.46
SIRT6 Q8N6T7 2/20 0.46
ADRB1 P08588 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AKR1C3 P42330 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1749545 0.89 MAPT (0.59) MAPTALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL5204166 0.89 MAPT (0.59) MAPTALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL1749546 0.89 MAPT (0.59) MAPTALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL1749231 0.87 MAPT (0.52) MAPTALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL21526534 0.86 MAPT (0.55) MAPTALDH1A1ALOX12HTTLMNA
SCHEMBL21526519 0.86 MAPT (0.55) MAPTALDH1A1ALOX12HTTLMNA
SCHEMBL16569971 0.86 MAPT (0.55) MAPTALDH1A1ALOX12HTTLMNA
SCHEMBL3635114 0.85 MAPT (0.65) MAPTALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL27938368 0.84 MAPT (0.56) MAPTALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL27624491 0.80 MAPT (0.57) MAPTALDH1A1ALOX12HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 MAPT 4824/4885ALDH1A1 286/4885ALOX12 507/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885ALDH1A1 374/4885ALOX12 474/4885

“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.