SCHEMBL363680

SCHEMBL363680

O=C(/C=C/c1ccncc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 10/20 0.75
MAPT P10636 4/20 0.75
MAOB P27338 4/20 0.75
LMNA P02545 2/20 0.75
BCHE P06276 2/20 0.75
PLIN1 O60240 1/20 0.75
TNFRSF1A P19438 1/20 0.75
ACHE P22303 1/20 0.75
RECQL P46063 1/20 0.75
PLIN5 Q00G26 1/20 0.75
ABHD5 Q8WTS1 1/20 0.75
CYP3A4 P08684 6/20 0.68
CYP1A1 P04798 4/20 0.68
CYP1A2 P05177 3/20 0.68
CYP2D6 P10635 2/20 0.68
NFKB1 P19838 3/20 0.66
HSPD1 P10809 2/20 0.66
HSPE1 P61604 2/20 0.66
KMT2A Q03164 2/20 0.66
NFKB2 Q00653 2/20 0.66

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
SCHEMBL5593108 1.00 CYP1B1 (0.75) CYP1B1MAPTMAOBLMNABCHE
SCHEMBL10033954 0.93 CYP1B1 (0.75) CYP1B1MAPTMAOBLMNABCHE
SCHEMBL1390167 0.93 CYP1B1 (0.75) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL10782589 0.91 CYP1B1 (0.79) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL10782584 0.91 CYP1B1 (0.79) CYP1B1MAPTMAOBLMNABCHE
SCHEMBL6934856 0.90 CYP1B1 (0.70) CYP1B1MAPTMAOBLMNABCHE
SCHEMBL6934854 0.90 CYP1B1 (0.70) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL28249237 0.88 CYP1B1 (0.96) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL28249238 0.88 CYP1B1 (0.96) CYP1B1MAPTMAOBLMNABCHE
SCHEMBL9915665 0.86 CYP1B1 (0.91) CYP1B1MAPTMAOBLMNABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476658-B1 1-Phenyl-3-phenyl-2-propyne-1-ones MERRELL DOW PHARMA (US) 1995-11-15 EP claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US disclosed
US-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed
WO-1997016441-A1 SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-05-09 WO disclosed
US-5500429-A CARDIOVASCULAR MERRELL PHARMACEUTICALS INC. (US) 1996-03-19 US disclosed
EP-0476658-B1 1-Phenyl-3-phenyl-2-propyne-1-ones MERRELL DOW PHARMA (US) 1995-11-15 EP disclosed
US-5446068-A Antiinflammatory agent MERRELL DOW PHARMACEUTICALS INC. (US) 1995-08-29 US disclosed
US-5409942-A Administering 1-phenyl-3-aryl-2-propyne-1-ones compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
US-5248825-A Aromatic ketones containing triple bond MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-28 US disclosed
US-5223518-A Controlling intake in leukocytes and platelets MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-29 US disclosed
EP-0476646-A1 Calcium uptake inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-03-25 EP disclosed
EP-0476645-A1 Calcium uptake inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-25 EP disclosed
EP-0476658-A1 1-Phenyl-3-phenyl-2-propyne-1-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-25 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 (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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 CYP1B1 84/4885MAPT 4149/4885MAOB 1814/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A CYP1B1 115/4885MAPT 4093/4885MAOB 1221/4885

“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.