SCHEMBL7150489

SCHEMBL7150489

COc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
MEN1 O00255 5/20 0.72
ALDH1A1 P00352 6/20 0.66
KDM4E B2RXH2 4/20 0.66
ACLY P53396 2/20 0.65
MAPT P10636 4/20 0.61
LMNA P02545 3/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
CYP2C9 P11712 1/20 0.54
GPR27 Q9NS67 3/20 0.53
AVPR2 P30518 1/20 0.53
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL7144948 0.90 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1KDM4EACLY
SCHEMBL7149356 0.90 KMT2A (0.89) KMT2AMEN1ALDH1A1KDM4EACLY
SCHEMBL7148160 0.90 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1KDM4EACLY
SCHEMBL7153167 0.89 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1KDM4EACLY
SCHEMBL27181065 0.88 KMT2A (0.76) KMT2AMEN1ALDH1A1KDM4EACLY
SCHEMBL7144933 0.88 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL7150208 0.88 KMT2A (0.70) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL7150693 0.87 HTT (0.69) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL7152081 0.87 ALDH1A1 (0.80) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL7153166 0.86 KMT2A (0.79) KMT2AMEN1ALDH1A1KDM4EACLY

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528528-B2 Inhibitors of 15-lipoxygenase, inhibiting chemotaxis of monocytes WARNER-LAMBERT COMPANY 2003-03-04 US claimed
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 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 KMT2A 1976/4885MEN1 3193/4885ALDH1A1 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.