SCHEMBL6813853

SCHEMBL6813853

COc1ccc(C(=O)Nc2ccccc2)cc1NC(=S)Nc1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 5/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 3/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
EPHX1 P07099 1/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 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
SCHEMBL6813674 0.92 MEN1 (0.65) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL6812657 0.88 MEN1 (0.59) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL6813332 0.87 MEN1 (0.58) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL6814586 0.87 MEN1 (0.60) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL6814054 0.86 GAA (0.65) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL6813246 0.86 MEN1 (0.66) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL6810538 0.86 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL6812340 0.85 KMT2A (0.61) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL6813600 0.85 KMT2A (0.58) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL6809740 0.85 HDAC1 (0.64) ALDH1A1MEN1KMT2AHDAC1HDAC8

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

“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.