SCHEMBL7155495

SCHEMBL7155495

COc1ccc(C(=O)Nc2ccccc2)cc1NCc1ccc(N(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.64
HDAC8 Q9BY41 6/20 0.64
HDAC6 Q9UBN7 3/20 0.64
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
GFER P55789 1/20 0.55
MCL1 Q07820 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KCNK3 O14649 1/20 0.52
HDAC2 Q92769 3/20 0.51
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 1/20 0.50
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
CYP3A4 P08684 2/20 0.49

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
SCHEMBL7150643 0.91 HDAC1 (0.62) HDAC1HDAC8HDAC6ALDH1A1LMNA
SCHEMBL7150142 0.90 HDAC8 (0.77) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL7147213 0.89 HDAC8 (0.69) HDAC1HDAC8HDAC6ALDH1A1MEN1
SCHEMBL7150002 0.88 HDAC8 (0.67) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL7151599 0.88 HDAC8 (0.67) HDAC1HDAC8HDAC6ALDH1A1LMNA
SCHEMBL7154766 0.88 HDAC1 (0.67) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL7154830 0.88 HDAC1 (0.67) HDAC1HDAC8HDAC6ALDH1A1MEN1
SCHEMBL7150170 0.88 HDAC8 (0.67) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL7150575 0.87 HDAC8 (0.66) HDAC1HDAC8HDAC6ALDH1A1LMNA
SCHEMBL7155887 0.87 HDAC1 (0.65) HDAC1HDAC8HDAC6ALDH1A1LMNA

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 HDAC1 552/4885HDAC8 1567/4885HDAC6 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.