SCHEMBL6812705

SCHEMBL6812705

COc1ccc(NC(=O)c2ccccc2)cc1NC(=S)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
MAPT P10636 7/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
GAA P10253 5/20 0.60
SMO Q99835 3/20 0.59
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
KDM4E B2RXH2 2/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL6813184 0.89 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6812366 0.88 KMT2A (0.58) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6809717 0.87 MAPT (0.56) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6809706 0.85 HDAC8 (0.60) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6813183 0.85 MAPT (0.56) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6813411 0.84 KMT2A (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6813606 0.83 MAPT (0.54) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6813268 0.83 HDAC8 (0.56) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6813288 0.83 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6812340 0.83 KMT2A (0.61) ALDH1A1MAPTMEN1KMT2AGAA

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 6 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

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 3879/4885MEN1 3193/4885

“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.