SCHEMBL295164

SCHEMBL295164

COC(=O)c1ccc(OC)cc1Nc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 18/20 0.81
AKR1C2 P52895 18/20 0.81
MAPT P10636 1/20 0.67
ALOX15 P16050 1/20 0.67
GAA P10253 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
SCHEMBL293867 0.89 AKR1C3 (1.00) AKR1C3AKR1C2MAPT
SCHEMBL846875 0.88 AKR1C3 (0.81) AKR1C3AKR1C2GAA
SCHEMBL294128 0.87 AKR1C3 (0.78) AKR1C3AKR1C2
SCHEMBL16372498 0.86 AKR1C3 (0.64) AKR1C3AKR1C2MAPTALOX15GAA
SCHEMBL296153 0.85 AKR1C3 (0.76) AKR1C3AKR1C2GAA
SCHEMBL4215631 0.85 AKR1C3 (0.65) AKR1C3AKR1C2MAPT
SCHEMBL8834052 0.85 AKR1C3 (0.62) AKR1C3AKR1C2MAPTALOX15GAA
SCHEMBL902692 0.85 AKR1C3 (0.64) AKR1C3AKR1C2MAPTALOX15
SCHEMBL8529851 0.84 MAPT (0.74) AKR1C3AKR1C2MAPTALOX15GAA
SCHEMBL27568225 0.84 CTSV (0.58) AKR1C3AKR1C2MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667685-B1 QUINAZOLINE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-03-14 EP disclosed
CN-101094829-B novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO.,LTD. (JP) 2012-02-08 CN disclosed
US-7906521-B2 Quinazoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-15 US disclosed
US-7906521-B2 Quinazoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-15 US disclosed
US-7906521-B2 Quinazoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-15 US disclosed
EP-1667685-A4 QUINAZOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-04-29 EP disclosed
CN-101094829-A Novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2007-12-26 CN disclosed
US-20070054894-A1 Quinazoline potassium channel inhibitors MERCK & CO., INC. (US) 2007-03-08 US disclosed
US-20070054894-A1 Quinazoline potassium channel inhibitors MERCK & CO., INC. (US) 2007-03-08 US disclosed
US-20070054894-A1 Quinazoline potassium channel inhibitors MERCK & CO., INC. (US) 2007-03-08 US disclosed
EP-1667685-A1 QUINAZOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030217-A1 QUINAZOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO disclosed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed
EP-0910563-A4 1999-04-28 EP disclosed
EP-0910563-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-28 EP disclosed
WO-1997001540-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-16 WO 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 (1 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-20070054894-A1 Quinazoline potassium channel inhibitors KCNJ2, KCNH2, KCNH3 AKR1C3 2614/4885AKR1C2 1933/4885MAPT 2951/4885

“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.