SCHEMBL1749546

SCHEMBL1749546

O=C(O)NC1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
POLB P06746 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 5/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
ADRB1 P08588 1/20 0.46
SIRT6 Q8N6T7 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
SCHEMBL1749545 1.00 MAPT (0.59) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL5204166 1.00 MAPT (0.59) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL21526534 0.92 MAPT (0.55) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL21526519 0.92 MAPT (0.55) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL16569971 0.92 MAPT (0.55) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL3635114 0.92 MAPT (0.65) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL1749577 0.89 MAPT (0.53) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL3551387 0.88 MAPT (0.57) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL1749644 0.88 MAPT (0.57) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL1749646 0.88 MAPT (0.57) MAPTPOLBCYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
CN-103313968-A Nampt and rock inhibitors ABBVIE LAB 2013-09-18 CN disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
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
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO 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 (5 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK MAPT 386/4885POLB 2600/4885CYP2C9 4273/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 MAPT 512/4885POLB 2278/4885CYP2C9 4728/4885
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 MAPT 4824/4885POLB 1621/4885CYP2C9 16/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885POLB 1617/4885CYP2C9 21/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 MAPT 512/4885POLB 2278/4885CYP2C9 4728/4885

“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.