SCHEMBL3259196

SCHEMBL3259196

O=C(C(=O)c1cccnc1)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
APP P05067 1/20 0.69
GAA P10253 1/20 0.69
HCAR3 P49019 1/20 0.69
HCAR2 Q8TDS4 1/20 0.69
PLOD2 O00469 1/20 0.63
CES2 O00748 4/20 0.61
CES1 P23141 4/20 0.61
F7 P08709 1/20 0.61
F3 P13726 1/20 0.61
SARM1 Q6SZW1 1/20 0.61
SIRT2 Q8IXJ6 1/20 0.61
SIRT6 Q8N6T7 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
SIRT3 Q9NTG7 1/20 0.61
SIRT5 Q9NXA8 1/20 0.61
SIRT4 Q9Y6E7 1/20 0.61
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CYP1A1 P04798 1/20 0.56

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
SCHEMBL2784997 0.93 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2
Benzil SCHEMBL4090643 0.92 ALDH1A1 (0.84) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL3063939 0.89 ALDH1A1 (0.61) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL265578 0.87 ALDH1A1 (0.69) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL11603539 0.86 NPC1 (0.61) ALDH1A1APPGAAHCAR3HCAR2
Hydrochloric Acid SCHEMBL27972556 0.85 ALDH1A1 (0.67) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL10860350 0.84 ALDH1A1 (0.65) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL9477069 0.84 ALDH1A1 (0.60) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL10841082 0.84 KMT2A (0.61) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL11815240 0.84 CES2 (0.62) ALDH1A1APPGAAHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 US disclosed
US-4598076-A 2-pyrrolin-3-carbonitril-derivatives, pharmaceutical compositions containing them and their anti-inflammatory and ulcer protective activity WARNER-LAMBERT COMPANY (US) 1986-07-01 US disclosed
EP-0091045-B1 2-PYRROLINE-3-CARBONITRILE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1986-02-26 EP disclosed
EP-0045081-B1 TRISUBSTITUTED IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE CIBA-GEIGY AG (CH) 1986-01-08 EP disclosed
US-4517185-A 2-Pyrrolin-3-carbonitrile derivatives, and pharmaceutical compositions containing them and their anti-inflammatory and ulcer protective activity WARNER-LAMBERT COMPANY (US) 1985-05-14 US disclosed
US-4447431-A VIRICIDES, ANTIINFLAMMATORY AND SUNCREEN AGENT CIBA-GEIGY CORPORATION (US) 1984-05-08 US disclosed
EP-0091045-A1 2-Pyrroline-3-carbonitrile derivatives, process for their preparation and medicines containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1983-10-12 EP disclosed
WO-1983002613-A1 TRISUBSTITUTED OXAZO COMPOUNDS SALLMANN, ALFRED 1983-08-04 WO disclosed
EP-0084756-A1 Trisubstituted oxaza compounds CIBA-GEIGY AG (CH) 1983-08-03 EP disclosed
EP-0046451-A2 Diaryl-imidazole compounds, methods for their preparation, pharmaceutical drugs containing them and their use CIBA-GEIGY AG (CH) 1982-02-24 EP disclosed
EP-0045081-A2 Trisubstituted imidazole derivatives, processes for preparing them, pharmaceutical compositions containing them, and their use CIBA-GEIGY AG (CH) 1982-02-03 EP disclosed
US-3940486-A Imidazole derivatives in the treatment of pain CIBA-GEIGY CORPORATION (US) 1976-02-24 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-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 ALDH1A1 1913/4885APP 105/4885GAA 4232/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 ALDH1A1 1913/4885APP 105/4885GAA 4232/4885

“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.