SCHEMBL6809722

SCHEMBL6809722

COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N(S)C(=O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
MAPT P10636 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
PKM P14618 1/20 0.50
MAPK14 Q16539 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
HPGD P15428 2/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAOB P27338 1/20 0.44
KDR P35968 1/20 0.44
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
BCAT2 O15382 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
SCHEMBL6813187 0.96 NPC1 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6813531 0.89 P2RY1 (0.59) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6809708 0.89 HDAC8 (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6813123 0.88 SMN1; SMN2 (0.45) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6812711 0.88 PNLIP (0.49) NPC1RAB9AMEN1KMT2AMAPK14
SCHEMBL6813412 0.87 KCNQ3 (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6813608 0.87 HDAC8 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6813269 0.87 NPC1 (0.51) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6812693 0.86 MEN1 (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6813225 0.86 KCNQ3 (0.50) NPC1RAB9AMAPTMEN1KMT2A

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
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-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 NPC1 230/4885RAB9A 4084/4885MAPT 3879/4885

“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.