SCHEMBL7154759

SCHEMBL7154759

COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
MAPT P10636 11/20 0.54
ALDH1A1 P00352 9/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 5/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
GAA P10253 3/20 0.46
IGF1R P08069 1/20 0.46
POLB P06746 2/20 0.45

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 0.86 P2RY1 (0.61) MAPTALDH1A1LMNATHRBHPGD
SCHEMBL4555008 0.81 MAPT (0.78) MAPTALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL6809723 0.80 MAPT (0.76) MAPTALDH1A1LMNATHRBHPGD
SCHEMBL6810702 0.80 CBS (0.65) MAPTALDH1A1LMNATHRBHPGD
SCHEMBL6812359 0.80 MEN1 (0.54) MAPTALDH1A1LMNATHRBHPGD
SCHEMBL7154764 0.78 HTR2A (0.53) HTR2AHTR2CMAPTKDM4ESMN1; SMN2
SCHEMBL4246258 0.75 RAB9A (0.60) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4239103 0.75 RAF1 (0.54) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6812366 0.75 KMT2A (0.58) MAPTALDH1A1NPSR1LMNAHPGD
SCHEMBL11008198 0.75 HTR2A (0.58) HTR2AHTR2CMAPTLMNASMN1; SMN2

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-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
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 HTR2A 3352/4885HTR2C 3570/4885MAPT 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.