SCHEMBL7149140

SCHEMBL7149140

COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1NCc1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ROCK2 O75116 3/20 0.51
KDM1A O60341 2/20 0.51
AURKA O14965 1/20 0.51
RPS6KB1 P23443 1/20 0.51
AURKB Q96GD4 1/20 0.51
MAPK14 Q16539 1/20 0.49
CYP3A4 P08684 2/20 0.48
PPARA Q07869 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PARP1 P09874 1/20 0.48
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL7155456 0.96 AURKA (0.53) HDAC8HDAC1HDAC6ROCK2KDM1A
SCHEMBL7154118 0.91 HDAC1 (0.67) HDAC8HDAC1HDAC6NPC1RAB9A
SCHEMBL7150095 0.90 HDAC8 (0.56) HDAC8HDAC1HDAC6ROCK2AURKA
SCHEMBL7148101 0.90 HDAC8 (0.57) HDAC8HDAC1HDAC6NPC1RAB9A
SCHEMBL7150954 0.89 HDAC8 (0.55) HDAC8HDAC1HDAC6ROCK2AURKA
SCHEMBL7154133 0.88 HDAC8 (0.65) HDAC8HDAC1HDAC6ROCK2CYP3A4
SCHEMBL7154870 0.85 AURKA (0.53) HDAC8HDAC1HDAC6ROCK2AURKA
SCHEMBL7154810 0.85 HDAC1 (0.60) HDAC8HDAC1HDAC6AURKARPS6KB1
SCHEMBL7150053 0.84 DDR1 (0.56) HDAC8HDAC1HDAC6AURKARPS6KB1
SCHEMBL6812519 0.82 ALDH1A1 (0.57) HDAC8HDAC1HDAC6MAPK14CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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
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.