SCHEMBL873259

SCHEMBL873259

CCc1nccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
PLAU P00749 2/20 0.50
F12 P00748 1/20 0.50
NCF1 P14598 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
BACE1 P56817 1/20 0.50
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
CYP3A4 P08684 3/20 0.42
HRH4 Q9H3N8 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLG P00747 1/20 0.42
ACHE P22303 1/20 0.41
GRM4 Q14833 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL30327401 1.00 CYP2A6 (0.55) CYP2A6PLAUF12NCF1NOS3
Iodide SCHEMBL3633184 0.98 CYP2A6 (0.53) CYP2A6PLAUF12NCF1NOS3
Bromide SCHEMBL5146590 0.98 CYP2A6 (0.53) CYP2A6PLAUF12NCF1NOS3
Aniline SCHEMBL27488059 0.89 PLAU (0.50) CYP2A6PLAUF12NCF1NOS3
SCHEMBL30179063 0.84 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL4066216 0.84 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL12128484 0.82 CYP2A6 (0.50) CYP2A6PLAUF12NCF1NOS3
SCHEMBL1445844 0.82 CYP2A6 (0.46) CYP2A6PLAUF12NCF1NOS3
SCHEMBL4067893 0.81 CYP2A6 (0.48) CYP2A6PLAUF12NCF1NOS3
SCHEMBL31125170 0.81 CYP2A6 (0.48) CYP2A6PLAUF12NCF1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796800-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2017-10-24 US claimed
US-20160108153-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2016-04-21 US claimed
US-9249244-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2016-02-02 US claimed
CN-103435456-B Preparation method for 9-fluorenone BAOSHUN TECHNOLOGY CO LTD 2015-06-10 CN claimed
EP-1761517-B1 NOVEL IMIDAZOLES AND TRIAZOLES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-09-24 EP claimed
CN-103435456-A Preparation method for 9-fluorenone BAOSHUN TECHNOLOGY CO LTD 2013-12-11 CN claimed
EP-2619233-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2013-07-31 EP claimed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 WO claimed
US-7906539-B2 e.g. 1-(but-2-ynyl)-2-(3-amino-piperidin-1-yl)-5-(naphth-1-ylmethylaminocarbonyl)-1H-imidazole; dipeptidylpeptidase-IV inhibitor; antidiabetic, anticarcinogenic, antiinflammatory agent; autoimmune, neurodegenerative diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-15 US claimed
US-7470716-B2 Imidazoles and triazoles, their preparation, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-30 US claimed
US-20080312243-A1 IMIDAZOLES AND TRIAZOLES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS ECKHARDT MATTHIAS 2008-12-18 US claimed
US-7393847-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2008-07-01 US claimed
US-20060004074-A1 New imidazoles and triazoles, their preparation, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 US claimed
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US claimed
CN-116283759-B Preparation method of 2-monofluoromethylquinoline and derivatives thereof 济南大学 2025-02-28 CN disclosed
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
US-4255283-A METAL PHOSPHATE CATALYST THE STANDARD OIL COMPANY (US) 1981-03-10 US disclosed
US-4246421-A METAL PHOSPHATE CATALYST THE STANDARD OIL COMPANY (US) 1981-01-20 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 (4 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-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CYP2A6 2270/4885PLAU 15/4885F12 61/4885
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CYP2A6 367/4885PLAU 401/4885F12 666/4885
US-20060004074-A1 New imidazoles and triazoles, their preparation, and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CYP2A6 753/4885PLAU 894/4885F12 325/4885
US-20080312243-A1 IMIDAZOLES AND TRIAZOLES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 CYP2A6 642/4885PLAU 769/4885F12 171/4885

“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.