Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ACP1 | P24666 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.41 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.41 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL733111 | 1.00 | NPSR1 (0.56) | NPSR1CYP1A2MEN1KMT2AMAPK1 | |
| SCHEMBL8569799 | 0.88 | MAPK1 (0.54) | NPSR1CYP1A2MEN1KMT2AMAPK1 | |
| SCHEMBL8569803 | 0.88 | MAPK1 (0.54) | NPSR1CYP1A2MEN1KMT2AMAPK1 | |
| SCHEMBL1398126 | 0.88 | MEN1 (0.58) | NPSR1CYP1A2MEN1KMT2AMAPK1 | |
| SCHEMBL1398125 | 0.88 | MEN1 (0.58) | NPSR1CYP1A2MEN1KMT2AMAPK1 | |
| SCHEMBL28346163 | 0.82 | CYP1A2 (0.64) | NPSR1CYP1A2MEN1KMT2AMAPK1 | |
| SCHEMBL505746 | 0.82 | CYP1A2 (0.64) | NPSR1CYP1A2MEN1KMT2AMAPK1 | |
| SCHEMBL9835434 | 0.82 | CYP1A2 (0.64) | NPSR1CYP1A2MEN1KMT2AMAPK1 | |
| SCHEMBL505068 | 0.81 | MEN1 (0.68) | NPSR1CYP1A2MEN1KMT2AMAPK1 | |
| SCHEMBL10212303 | 0.81 | MEN1 (0.68) | NPSR1CYP1A2MEN1KMT2AMAPK1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044016-B1 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | GRUENENTHAL GMBH (DE) | 2012-12-05 | — | — | EP | disclosed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| US-7592457-B2 | 3-aryl-3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2009-09-22 | — | — | US | disclosed |
| US-20090203708-A1 | NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2009-08-13 | — | — | US | disclosed |
| EP-2044016-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008009415-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2008-01-24 | — | — | WO | disclosed |
| EP-1650190-A1 | 3-aryl-3-methyl-quinoline-2,4-diones, preparation method thereof and pharmaceutical composition containing same | Korea Research Institute of Chemical Technology (KR) | 2006-04-26 | — | — | EP | disclosed |
| US-20060084676-A1 | 3-aryl--3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2006-04-20 | — | — | US | disclosed |
| EP-0869122-B1 | Quinolinic sulfide derivatives acting as NMDA receptor antagonists and process for preparation thereof | KOREA RES INST CHEM TECH (KR) | 2002-12-04 | — | — | EP | disclosed |
| US-5990126-A | 4-HYDROXY-QUINOLIN-2-ONE DERIVATIVES SUBSTITUTED AT POSITION 3 WITH A SUBSTITUTED AROMATIC- OR HETEROAROMATIC-SULFIDE GROUP; ANTAGONIST OF EXCITATORY AMINO ACID FOR NMDA RECEPTORS; TREATING EPILEPSY, STROKE, PARKINSON'S DISEASE | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1999-11-23 | — | — | US | disclosed |
| EP-0869122-A1 | Quinolinic sulfide derivatives acting as NMDA receptor antagonists and process for preparation thereof | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1998-10-07 | — | — | EP | 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 (3 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | NPSR1 1590/4885CYP1A2 29/4885MEN1 2253/4885 |
| US-20060084676-A1 | 3-aryl--3-methyl-quinoline-2, 4-diones, preparation method thereof, and pharmaceutical composition containing the same | HTR6, HTR3B, HTR2C | NPSR1 90/4885CYP1A2 173/4885MEN1 1527/4885 |
| US-20090203708-A1 | NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | HTR5A, HTR3B, HTR1A | NPSR1 113/4885CYP1A2 228/4885MEN1 3793/4885 |
“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.