SCHEMBL6496947

SCHEMBL6496947

CS/C(=N/c1c(C)nn(C)c1C)Nc1cc(Cl)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.41
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6496951 1.00 LMNA (0.41) LMNAHTTGAAMAPTALDH1A1
SCHEMBL6496480 0.72 GAA (0.56) LMNAHTTGAAMAPTALDH1A1
SCHEMBL6492715 0.66 KDM4E (0.49) LMNAHTTGAAMAPTALDH1A1
Iodide SCHEMBL11167246 0.64 GAA (0.51) LMNAHTTGAAMAPTALDH1A1
SCHEMBL6485048 0.62 ALDH1A1 (0.36) LMNAHTTMAPTALDH1A1KMT2A
SCHEMBL6498792 0.62 NOX1 (0.58) LMNAHTTMAPTALDH1A1POLB
SCHEMBL1068813 0.61 GAA (0.65) LMNAHTTGAAMAPTALDH1A1
SCHEMBL6106176 0.60 GAA (0.63) LMNAHTTGAAMAPTALDH1A1
SCHEMBL9974177 0.60 GAA (0.62) LMNAHTTGAAMAPTALDH1A1
SCHEMBL22075849 0.59 POLB (0.69) LMNAHTTGAAMAPTALDH1A1

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 LMNA 4357/4885HTT 1682/4885GAA 3175/4885
US-20040127526-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents CBR1, LDLR, HMGCR LMNA 4357/4885HTT 1682/4885GAA 3175/4885

“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.