SCHEMBL6813093

SCHEMBL6813093

CSc1ccc(C(=O)Nc2ccccc2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC3 O15379 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
PLAU P00749 2/20 0.52
KMT2A Q03164 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
MEN1 O00255 2/20 0.50
PTPN1 P18031 2/20 0.50
POLB P06746 1/20 0.50
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
KLKB1 P03952 1/20 0.50
KLK1 P06870 1/20 0.50
PRSS1 P07477 1/20 0.50
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
RORA P35398 1/20 0.49

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
SCHEMBL16099590 0.92 HDAC1 (0.58) HDAC1HDAC2HDAC3PLAUKMT2A
SCHEMBL11957597 0.84 HDAC2 (0.52) HDAC1HDAC2HDAC3NCOR2PLAU
SCHEMBL11200897 0.81 HDAC2 (0.59) HDAC1HDAC2HDAC3NCOR2PLAU
SCHEMBL29364540 0.81 HDAC2 (0.63) HDAC1HDAC2HDAC3NCOR2PLAU
SCHEMBL2949633 0.81 HDAC2 (0.63) HDAC1HDAC2HDAC3NCOR2PLAU
SCHEMBL6809737 0.80 KMT2A (0.60) HDAC1HDAC2HDAC3NCOR2PLAU
SCHEMBL1455605 0.80 DEGS1 (0.50) HDAC1HDAC2HDAC3NCOR2PLAU
SCHEMBL6813579 0.79 HDAC2 (0.56) HDAC1HDAC2HDAC3NCOR2PLAU
SCHEMBL6812353 0.78 ALDH1A1 (0.65) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL1455810 0.78 KMT2A (0.52) HDAC1HDAC2HDAC3NCOR2PLAU

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-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
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 HDAC1 552/4885HDAC2 402/4885HDAC3 790/4885

“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.