SCHEMBL3589291

SCHEMBL3589291

Nc1cccc(Oc2ccc(C(=O)O)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
P4HTM Q9NXG6 2/20 0.49
ALDH1A1 P00352 2/20 0.46
ATM Q13315 1/20 0.44
CDK8 P49336 8/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
AKR1C3 P42330 1/20 0.41
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL12355382 0.83 HRH3 (0.50) MAOBALDH1A1CDK8
SCHEMBL2417239 0.83 P4HTM (0.51) MAOBP4HTMALDH1A1MAPTMEN1
SCHEMBL5755276 0.82 P4HTM (0.63) P4HTMALDH1A1AKR1C3P4HA1MIF
SCHEMBL11412089 0.82 HRH3 (0.54) P4HTMCDK8
Hydrochloric Acid SCHEMBL11410315 0.81 P4HTM (0.50) MAOBP4HTMALDH1A1MAPTMEN1
SCHEMBL3409437 0.81 MAOB (0.54) MAOBALDH1A1ATMMAPTSMN1; SMN2
SCHEMBL5636376 0.80 MAOB (0.50) MAOBALDH1A1ATMCDK8MAPT
SCHEMBL11412080 0.79 CDK8 (0.55) ALDH1A1CDK8MAPTGAAPOLB
SCHEMBL2029669 0.78 P4HTM (0.44) P4HTMALDH1A1CDK8P4HA1MIF
SCHEMBL19405836 0.78 P4HTM (0.74) MAOBP4HTMMEN1KMT2ASMN1; SMN2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641759-B1 MALONAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
EP-1643991-B1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-7691870-B2 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-20070213374-A1 Malonamide Derivatives MERCK PATENT GMBH (DE) 2007-09-13 US disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20060189665-A1 Oxamide derivatives useful as raf-kinase inhibitors MERCK PATENT GMBH (DE) 2006-08-24 US disclosed
EP-1643991-A1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GmbH (DE) 2006-04-12 EP disclosed
EP-1641759-A2 MALONAMIDE DERIVATIVES MERCK PATENT GmbH (DE) 2006-04-05 EP disclosed
EP-1606260-A1 OXAMIDE DERIVATIVES USEFUL AS RAF-KINASE INHIBITORS MERCK PATENT GmbH (DE) 2005-12-21 EP disclosed
WO-2005005389-A2 MALONAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2005-01-20 WO disclosed
WO-2005004863-A1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-01-20 WO disclosed
WO-2004085399-A1 OXAMIDE DERIVATIVES USEFUL AS RAF-KINASE INHIBITORS MERCK PATENT GMBH (DE) 2004-10-07 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors BRAF, RAF1, ARAF MAOB 1920/4885P4HTM 2771/4885ALDH1A1 1318/4885
US-20060189665-A1 Oxamide derivatives useful as raf-kinase inhibitors BRAF, RAF1, ARAF MAOB 910/4885P4HTM 2635/4885ALDH1A1 921/4885
US-20070213374-A1 Malonamide Derivatives RAF1, BRAF, ARAF MAOB 383/4885P4HTM 3632/4885ALDH1A1 742/4885

“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.