SCHEMBL6809682

SCHEMBL6809682

COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.56
RAB9A P51151 10/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
IMPDH2 P12268 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.53
TP53 P04637 4/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 1/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
NQO2 P16083 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
POLB P06746 2/20 0.50
FKBP5 Q13451 1/20 0.50

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
SCHEMBL6813517 0.88 NPC1 (0.55) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL6809736 0.86 NPC1 (0.60) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL1250383 0.84 RAB9A (0.63) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL6787762 0.84 RAB9A (0.62) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL17507452 0.83 KMT2A (0.59) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL11147327 0.83 POLB (0.63) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL6818005 0.83 NPC1 (0.68) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL4611238 0.83 MEN1 (0.63) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL11693468 0.83 NPC1 (0.60) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL6813397 0.83 ALDH1A1 (0.58) NPC1RAB9AKMT2AMAPTALDH1A1

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 NPC1 230/4885RAB9A 4084/4885KMT2A 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.