SCHEMBL6495036

SCHEMBL6495036

CCNc1c(C)nn(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NMT1 P30419 2/20 0.37
MAPT P10636 2/20 0.35

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
SCHEMBL10836513 0.77 GAA (0.46) GAALMNAHTTSMN1; SMN2KDM4E
SCHEMBL10936259 0.74 GAA (0.44) GAALMNAHTTSMN1; SMN2KDM4E
SCHEMBL762265 0.73 GAA (0.46) GAALMNAHTTSMN1; SMN2KDM4E
SCHEMBL18021086 0.72 KDM4E (0.36) GAALMNAHTTSMN1; SMN2KDM4E
SCHEMBL6917528 0.71 GAA (0.48) GAALMNAHTTSMN1; SMN2KDM4E
SCHEMBL23219685 0.71 GAA (0.41) GAALMNAHTTSMN1; SMN2KDM4E
SCHEMBL21650382 0.70 GAA (0.43) GAALMNAHTTSMN1; SMN2KDM4E
SCHEMBL12846945 0.70 GAA (0.70) GAALMNAHTTSMN1; SMN2KDM4E
SCHEMBL13100036 0.68 RAB9A (0.42) GAALMNAHTTSMN1; SMN2KDM4E
SCHEMBL13457835 0.68 GAA (0.46) GAALMNAHTTSMN1; SMN2KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2980076-A1 PYRAZOLYL DERIVATIVES University of Dundee (GB) 2016-02-03 EP disclosed
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 GAA 3175/4885LMNA 4357/4885HTT 1682/4885
US-20040127526-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents CBR1, LDLR, HMGCR GAA 3175/4885LMNA 4357/4885HTT 1682/4885

“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.