SCHEMBL327696

SCHEMBL327696

O=C(N1C=NCC1)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.40
MGLL Q99685 3/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.33
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL8243508 0.79
SCHEMBL23500950 0.77
SCHEMBL15846673 0.74 FAAH (0.45) FAAHMGLLALDH1A1LMNAMAPT
SCHEMBL1325 0.74 FAAH (0.45) FAAHMGLLALDH1A1LMNAMAPT
SCHEMBL10814524 0.72 FAAH (0.44) FAAHMGLLALDH1A1LMNAMAPT
Hydrogen Sulfide SCHEMBL10814521 0.72 FAAH (0.44) FAAHMGLLALDH1A1LMNAMAPT
Phosphine SCHEMBL31680518 0.72 FAAH (0.44) FAAHMGLLALDH1A1LMNAMAPT
SCHEMBL2194853 0.72 FAAH (0.44) FAAHMGLLALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL6226784 0.72 FAAH (0.44) FAAHMGLLALDH1A1LMNAMAPT
SCHEMBL30730242 0.71 FAAH (0.55) FAAHMGLLALDH1A1LMNAMAPT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822327-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2017-11-21 US disclosed
US-20160186093-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-06-30 US disclosed
US-8324244-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-8293753-B2 Substituted 2-carboxamide cycloamino ureas NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8133884-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-13 US disclosed
US-8039483-B2 Quinuclidine carbonate salts and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2011-10-18 US disclosed
US-20110160458-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-06-30 US disclosed
US-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-05-05 US disclosed
US-7935716-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20110015367-A1 UNSATURATED POLY(ESTER-AMIDE) AND POLY(ETHER ESTER AMIDE) BIOMATERIALS CORNELL UNIVERSITY (US) 2011-01-20 US disclosed
US-20090076063-A1 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 US disclosed
US-20090048229-A1 Methods for promoting wakefulness COLUCID PHARMACEUTICALS, INC. 2009-02-19 US disclosed
EP-1905829-A2 Templated molecules and methods for using such molecules Nuevolution A/S (DK) 2008-04-02 EP disclosed
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents SENTION, INC. 2007-11-29 US disclosed
EP-1440797-B1 Heat-sensitive lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2007-10-03 EP disclosed
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2007-06-21 US disclosed
WO-2007062177-A2 MOLECULAR CONJUGATE VENTANA MEDICAL SYSTEMS, INC. (US) 2007-05-31 WO disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. 2006-12-07 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 (8 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-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists HTR4, HTR5A, HTR1A FAAH 213/4885MGLL 2553/4885ALDH1A1 2503/4885
US-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, CCNI FAAH 3323/4885MGLL 2646/4885ALDH1A1 1275/4885
US-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 FAAH 155/4885MGLL 3497/4885ALDH1A1 3016/4885
US-20070275959-A1 Carbamoyl Esters That Inhibit Cholinesterase And Release Pharmacologically Active Agents ACHE, BCHE, CHAT FAAH 67/4885MGLL 98/4885ALDH1A1 918/4885
US-20090048229-A1 Methods for promoting wakefulness HCRTR2, HCRTR1, CHAT FAAH 41/4885MGLL 580/4885ALDH1A1 3038/4885
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 FAAH 2753/4885MGLL 44/4885ALDH1A1 1567/4885
US-20110160458-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB FAAH 4073/4885MGLL 3229/4885ALDH1A1 2138/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 FAAH 3463/4885MGLL 1750/4885ALDH1A1 3337/4885

“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.