SCHEMBL6496182

SCHEMBL6496182

Cc1csc(NC(=O)N(S)c2cc(Cl)ccc2C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.53
RAB9A P51151 10/20 0.52
POLB P06746 4/20 0.52
GRM5 P41594 1/20 0.52
NPC1 O15118 9/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 3/20 0.51
KMT2A Q03164 3/20 0.51
FFAR2 O15552 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
SCD O00767 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL6486115 0.81 KCNMA1 (0.50) GCKRAB9APOLBNPC1SMN1; SMN2
SCHEMBL6484255 0.81 RAB9A (0.52) RAB9APOLBNPC1SMN1; SMN2MAPT
SCHEMBL6483433 0.80 SMN1; SMN2 (0.51) RAB9APOLBNPC1SMN1; SMN2MAPT
SCHEMBL6483601 0.77 SMARCA2 (0.44) RAB9APOLBNPC1SMN1; SMN2MAPT
SCHEMBL6495267 0.76 LMNA (0.36) POLBSMN1; SMN2MAPTMEN1LMNA
SCHEMBL6483409 0.76 RAB9A (0.53) RAB9APOLBNPC1SMN1; SMN2MAPT
SCHEMBL6491670 0.74 CASP3 (0.41) RAB9APOLBNPC1SMN1; SMN2MAPT
SCHEMBL8491551 0.74 PTK2 (0.51) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL6498338 0.72 ALDH1A1 (0.38) POLBMAPTMEN1LMNAKMT2A
SCHEMBL8493684 0.72 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTMEN1

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 10 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-6686476-B2 ANTICHOILESTEROL AGENTS; CARDIOVASCULAR DISORDERS WYETH 2004-02-03 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 GCK 632/4885RAB9A 1003/4885POLB 3509/4885
US-20040127526-A1 Novel substituted 1-aryl-3-heteroaryl-thioureas and substituted 1-aryl-3-heteroaryl-isothioureas as antiatherosclerotic agents CBR1, LDLR, HMGCR GCK 632/4885RAB9A 1003/4885POLB 3509/4885

“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.