SCHEMBL6812359

SCHEMBL6812359

COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.54
KMT2A Q03164 10/20 0.54
MAPT P10636 11/20 0.54
LMNA P02545 7/20 0.54
HTT P42858 6/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 6/20 0.54
THRB P10828 2/20 0.54
ALOX12 P18054 2/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 3/20 0.53
PPIA P62937 1/20 0.52
POLB P06746 2/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.49
XBP1 P17861 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6813529 0.84 P2RY1 (0.61) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6812332 0.82 MEN1 (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL22092705 0.81 MEN1 (0.78) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29494987 0.81 MEN1 (0.78) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6810702 0.80 CBS (0.65) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6809723 0.80 MAPT (0.76) MEN1KMT2AMAPTLMNAHTT
SCHEMBL7154759 0.80 HTR2A (0.55) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6812361 0.78 MEN1 (0.53) MEN1KMT2AMAPTLMNAHTT
SCHEMBL5187322 0.77 MEN1 (0.85) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6441357 0.77 ALDH1A1 (0.77) MEN1KMT2AMAPTLMNAHTT

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 MEN1 3193/4885KMT2A 1976/4885MAPT 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.