SCHEMBL293867

SCHEMBL293867

COc1ccc(C(=O)O)c(Nc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 18/20 1.00
AKR1C2 P52895 18/20 1.00
MEN1 O00255 2/20 0.60
LMNA P02545 2/20 0.60
KMT2A Q03164 2/20 0.60
HPGD P15428 1/20 0.60
GFER P55789 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59

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
SCHEMBL9595058 0.92 AKR1C3 (1.00) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL30701240 0.91 AKR1C3 (1.00) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL9594214 0.91 AKR1C3 (1.00) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL295164 0.89 AKR1C3 (0.81) AKR1C3AKR1C2MAPT
SCHEMBL846875 0.89 AKR1C3 (0.81) AKR1C3AKR1C2
SCHEMBL294128 0.88 AKR1C3 (0.78) AKR1C3AKR1C2
SCHEMBL9595156 0.88 AKR1C3 (1.00) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL10652538 0.88 AKR1C3 (0.78) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL14598923 0.88 AKR1C3 (0.78) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL9594324 0.87 AKR1C3 (1.00) AKR1C3AKR1C2MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2730918-B1 MATRIX FOR MALDI MASS SPECTROMETRY AND MALDI MASS SPECTROMETRY METHOD UNIV KYUSHU NAT UNIV CORP (JP) 2016-09-14 EP disclosed
US-20140151548-A1 MATRIX FOR MALDI MASS SPECTROMETRY AND MALDIMASS SPECTROMETRY METHOD KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2014-06-05 US disclosed
US-20140151548-A1 MATRIX FOR MALDI MASS SPECTROMETRY AND MALDIMASS SPECTROMETRY METHOD KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2014-06-05 US disclosed
EP-2730918-A1 MATRIX FOR MALDI MASS SPECTROMETRY Kyushu University National University Corporation (JP) 2014-05-14 EP disclosed
EP-1667685-B1 QUINAZOLINE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-03-14 EP disclosed
EP-1667685-B1 QUINAZOLINE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-03-14 EP 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
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
CN-1856310-A Quinazoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN 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

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 1933/4885MEN1 1683/4885

“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.