SCHEMBL6814529

SCHEMBL6814529

COc1ccc(C(=O)Nc2ccccc2)cc1N(S)C(=O)Nc1ccc(N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
MAPK1 P28482 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 1/20 0.55
GFER P55789 1/20 0.55
MCL1 Q07820 1/20 0.55
KCNK3 O14649 2/20 0.52
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 4/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 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
SCHEMBL6813678 0.92 MEN1 (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6810543 0.89 KMT2A (0.57) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL6813253 0.89 MEN1 (0.63) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6813603 0.88 KMT2A (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6812345 0.88 MEN1 (0.56) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL6809758 0.86 TP53 (0.56) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL6813334 0.86 MEN1 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6813300 0.85 MEN1 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6812693 0.85 MEN1 (0.53) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL6813192 0.85 MEN1 (0.52) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042276-B1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER LAMBERT CO (US) 2004-11-17 EP claimed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 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
EP-1042276-B1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
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 ALDH1A1 369/4885MAPT 3879/4885MAPK1 1017/4885

“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.