SCHEMBL6809706

SCHEMBL6809706

COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
KMT2A Q03164 10/20 0.56
MEN1 O00255 9/20 0.56
MAPT P10636 6/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 4/20 0.55
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
MCL1 Q07820 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
XBP1 P17861 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL6813268 0.93 HDAC8 (0.56) HDAC8HDAC1HDAC6KMT2AMEN1
SCHEMBL6813606 0.93 MAPT (0.54) HDAC8HDAC1HDAC6KMT2AMEN1
SCHEMBL6813219 0.92 MAOB (0.57) HDAC8HDAC1HDAC6KMT2AMEN1
SCHEMBL6813184 0.92 ALDH1A1 (0.57) HDAC8HDAC1HDAC6KMT2AMEN1
SCHEMBL6812340 0.91 KMT2A (0.61) HDAC8HDAC1HDAC6KMT2AMEN1
SCHEMBL6813183 0.90 MAPT (0.56) HDAC8HDAC1HDAC6KMT2AMEN1
SCHEMBL6813411 0.89 KMT2A (0.52) HDAC8HDAC1HDAC6KMT2AMEN1
SCHEMBL6813116 0.88 ALDH1A1 (0.60) HDAC8HDAC1HDAC6KMT2AMEN1
SCHEMBL6809717 0.88 MAPT (0.56) HDAC8HDAC1HDAC6KMT2AMEN1
SCHEMBL6812705 0.85 ALDH1A1 (0.60) HDAC8HDAC1HDAC6KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042276-B1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER LAMBERT CO (US) 2004-11-17 EP claimed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 US claimed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP claimed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO claimed
EP-1042276-B1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
US-6528528-B2 Inhibitors of 15-lipoxygenase, inhibiting chemotaxis of monocytes WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US disclosed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP disclosed
US-6022523-A NOVEL CYCLIC COMPOUNDS CONTAINING CARBOCYCLIC AND HETEROCYCLIC RING SYSTEMS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-08 US disclosed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 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-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis TPMT, CTH, CBS HDAC8 1567/4885HDAC1 552/4885HDAC6 1052/4885

“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.