SCHEMBL7148381

SCHEMBL7148381

COc1ccc(C(=O)Nc2ccccc2)cc1NCc1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
HDAC8 Q9BY41 6/20 0.58
HDAC1 Q13547 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
PPARG P37231 2/20 0.53
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL7147239 0.91 MAPT (0.63) MAPTKDM4EHPGDHDAC8HDAC1
SCHEMBL7147558 0.88 HDAC8 (0.57) MAPTHDAC8HDAC1HDAC6CYP3A4
SCHEMBL7150142 0.86 HDAC8 (0.77) MAPTKDM4EGAAHDAC8HDAC1
SCHEMBL7155313 0.86 HDAC8 (0.56) MAPTGAAHDAC8HDAC1HDAC6
SCHEMBL7148345 0.85 HDAC8 (0.54) MAPTHDAC8HDAC1HDAC6CYP3A4
SCHEMBL7154745 0.84 HDAC8 (0.61) MAPTHDAC8HDAC1HDAC6CYP3A4
SCHEMBL7149905 0.84 HDAC8 (0.64) MAPTKDM4EHDAC8HDAC1HDAC6
SCHEMBL7154766 0.84 HDAC1 (0.67) MAPTHDAC8HDAC1HDAC6CYP3A4
SCHEMBL7147213 0.83 HDAC8 (0.69) HDAC8HDAC1HDAC6CYP3A4MEN1
SCHEMBL7155887 0.83 HDAC1 (0.65) MAPTKDM4EHPGDHDAC8HDAC1

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 MAPT 3879/4885KDM4E 3150/4885GAA 1155/4885

“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.