SCHEMBL6483405

SCHEMBL6483405

CCc1nnc(NC(=S)Nc2cc(Cl)ccc2C)s1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 3/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 4/20 0.51
LMNA P02545 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
OPRK1 P41145 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL6483429 0.85 MAPT (0.57) RAB9AALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL6484249 0.76 MAPT (0.56) RAB9AALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL6486104 0.73 GAA (0.56) RAB9AALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL6496178 0.73 MAPT (0.65) RAB9AALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL6097058 0.73 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2GAAMAPTPOLB
SCHEMBL6480990 0.72 MAPT (0.57) RAB9AALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL6483409 0.72 RAB9A (0.53) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL6096534 0.71 GAA (0.73) ALDH1A1SMN1; SMN2GAAMAPTPOLB
SCHEMBL9053644 0.71 SMN1; SMN2 (0.78) ALDH1A1SMN1; SMN2GAAMAPTPOLB
SCHEMBL6483600 0.70 GAA (0.58) RAB9AALDH1A1NPC1SMN1; SMN2GAA

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
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 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 RAB9A 1003/4885ALDH1A1 740/4885NPC1 38/4885
US-20040127526-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents CBR1, LDLR, HMGCR RAB9A 1003/4885ALDH1A1 740/4885NPC1 38/4885

“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.