SCHEMBL6813334

SCHEMBL6813334

COc1ccc(C(=O)Nc2ccccc2)cc1N(S)C(=O)Nc1cc(C)cc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 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
SCHEMBL6813678 0.93 MEN1 (0.60) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL6813192 0.88 MEN1 (0.52) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL6813253 0.88 MEN1 (0.63) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL6810543 0.88 KMT2A (0.57) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL6813603 0.87 KMT2A (0.56) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL6812345 0.87 MEN1 (0.56) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL6814529 0.86 ALDH1A1 (0.55) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL6813197 0.86 ALDH1A1 (0.64) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL6809712 0.85 P2RX1 (0.52) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL6809758 0.85 TP53 (0.56) MEN1KMT2AALDH1A1CYP3A4TSHR

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 MEN1 3193/4885KMT2A 1976/4885ALDH1A1 369/4885

“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.