SCHEMBL7148101

SCHEMBL7148101

COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1NCc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.57
HDAC1 Q13547 6/20 0.56
HDAC6 Q9UBN7 2/20 0.56
NR1H4 Q96RI1 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HDAC2 Q92769 2/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPSE Q9Y251 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL7154118 0.93 HDAC1 (0.67) HDAC8HDAC1HDAC6SMN1; SMN2HDAC2
SCHEMBL7149140 0.90 HDAC8 (0.55) HDAC8HDAC1HDAC6SMN1; SMN2MEN1
SCHEMBL7148159 0.87 HDAC8 (0.53) HDAC8HDAC1HDAC6SMN1; SMN2HDAC2
SCHEMBL7154810 0.86 HDAC1 (0.60) HDAC8HDAC1HDAC6HDAC2MEN1
SCHEMBL7155456 0.86 AURKA (0.53) HDAC8HDAC1HDAC6SMN1; SMN2MEN1
SCHEMBL7147213 0.86 HDAC8 (0.69) HDAC8HDAC1HDAC6NR1H4HDAC2
SCHEMBL7150095 0.86 HDAC8 (0.56) HDAC8HDAC1HDAC6SMN1; SMN2MEN1
SCHEMBL7150954 0.85 HDAC8 (0.55) HDAC8HDAC1HDAC6SMN1; SMN2HDAC2
SCHEMBL7150053 0.83 DDR1 (0.56) HDAC8HDAC1HDAC6SMN1; SMN2MEN1
SCHEMBL7150575 0.82 HDAC8 (0.66) HDAC8HDAC1HDAC6HDAC2MEN1

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.