SCHEMBL6498792

SCHEMBL6498792

Cc1cc(Cl)ccc1NC(=S)Nc1c(C)nn(C)c1C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.58
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 1/20 0.53
THRB P10828 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX12 P18054 1/20 0.46
NR2F2 P24468 1/20 0.46

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
SCHEMBL6496480 0.90 GAA (0.56) NOX1SMN1; SMN2LMNAHTTMAPT
SCHEMBL6482314 0.76 GAA (0.58) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL11504808 0.74 NOX1 (0.77) NOX1POLBSMN1; SMN2NPC1THRB
SCHEMBL10488934 0.72 MAPT (0.76) NOX1POLBSMN1; SMN2NPC1THRB
SCHEMBL8495765 0.71 RAB9A (0.71) NOX1POLBSMN1; SMN2NPC1THRB
SCHEMBL6498796 0.70 HTT (0.53) POLBSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6097065 0.70 SMN1; SMN2 (0.78) NOX1POLBSMN1; SMN2LMNAHTT
SCHEMBL11513798 0.70 NOX1 (0.67) NOX1POLBSMN1; SMN2NPC1THRB
SCHEMBL8491865 0.69 RAB9A (1.00) NOX1POLBSMN1; SMN2NPC1THRB
SCHEMBL8495367 0.69 SMN1; SMN2 (0.76) NOX1POLBSMN1; SMN2NPC1THRB

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-20040127526-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents WYETH 2004-07-01 US claimed
US-20030013747-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents WYETH 2003-01-16 US claimed
US-6455566-B1 Substituted 1-aryl-3-heteroaryl-thioureas (or isothioureas) as antiatherosclerotic agents WYETH 2002-09-24 US claimed
US-6936630-B2 Substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents WYETH (US) 2005-08-30 US disclosed
US-20040127526-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents WYETH 2004-07-01 US disclosed
US-6686476-B2 ANTICHOILESTEROL AGENTS; CARDIOVASCULAR DISORDERS WYETH 2004-02-03 US disclosed
US-20030013747-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents WYETH 2003-01-16 US disclosed
US-6455566-B1 Substituted 1-aryl-3-heteroaryl-thioureas (or isothioureas) as antiatherosclerotic agents WYETH 2002-09-24 US disclosed
WO-1999011638-A1 SUBSTITUTED 1-ARYL-3- HETEROARYL-THIOUREAS AND SUBSTITUTED 1-ARYL-3-HETEROARYL-ISOTHIOUREAS AS ANTIATHEROSCLEROTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-03-11 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 (2 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-20030013747-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents CBR1, LDLR, HMGCR NOX1 443/4885POLB 3509/4885SMN1; SMN2 4763/4885
US-20040127526-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents CBR1, LDLR, HMGCR NOX1 443/4885POLB 3509/4885SMN1; SMN2 4763/4885

“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.