SCHEMBL7148159

SCHEMBL7148159

CCN(CC)c1ccc(CNc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.53
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 1/20 0.50
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HPSE Q9Y251 2/20 0.47
MAPK14 Q16539 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HDAC2 Q92769 2/20 0.46
KMT2A Q03164 5/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 4/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
ESRRG P62508 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL7148101 0.87 HDAC8 (0.57) HDAC8ALDH1A1HDAC1HDAC6HPSE
SCHEMBL7150643 0.87 HDAC1 (0.62) HDAC8MAPTALDH1A1HTTNPSR1
SCHEMBL7154118 0.86 HDAC1 (0.67) HDAC8ALDH1A1HDAC1HDAC6SMN1; SMN2
SCHEMBL7154810 0.82 HDAC1 (0.60) HDAC8ALDH1A1HDAC1HDAC6HPSE
SCHEMBL7150095 0.82 HDAC8 (0.56) HDAC8ALDH1A1HDAC1HDAC6MAPK14
SCHEMBL7150954 0.81 HDAC8 (0.55) HDAC8ALDH1A1HDAC1HDAC6MAPK14
SCHEMBL7149140 0.80 HDAC8 (0.55) HDAC8ALDH1A1HDAC1HDAC6MAPK14
SCHEMBL7150053 0.79 DDR1 (0.56) HDAC8MAPTALDH1A1HTTNPSR1
SCHEMBL7155495 0.78 HDAC1 (0.64) HDAC8MAPTALDH1A1HDAC1HDAC6
SCHEMBL7150575 0.78 HDAC8 (0.66) HDAC8MAPTALDH1A1HDAC1HDAC6

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 1567/4885MAPT 3879/4885ALDH1A1 369/4885

“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.