SCHEMBL6483409

SCHEMBL6483409

CCc1nnc(NC(=O)N(S)c2cc(Cl)ccc2C)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
POLB P06746 5/20 0.53
NPC1 O15118 4/20 0.53
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
OPRK1 P41145 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.43
KLKB1 P03952 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
SCHEMBL6483433 0.86 SMN1; SMN2 (0.51) RAB9APOLBNPC1ALDH1A1LMNA
SCHEMBL6484255 0.78 RAB9A (0.52) RAB9APOLBNPC1ALDH1A1LMNA
SCHEMBL6486115 0.76 KCNMA1 (0.50) RAB9APOLBNPC1ALDH1A1LMNA
SCHEMBL6496182 0.76 GCK (0.53) RAB9APOLBNPC1ALDH1A1LMNA
SCHEMBL6483405 0.72 RAB9A (0.56) RAB9APOLBNPC1ALDH1A1LMNA
SCHEMBL6483601 0.72 SMARCA2 (0.44) RAB9APOLBNPC1ALDH1A1LMNA
SCHEMBL6491670 0.72 CASP3 (0.41) RAB9APOLBNPC1ALDH1A1LMNA
SCHEMBL8491551 0.72 PTK2 (0.51) RAB9ANPC1ALDH1A1LMNAHTT
SCHEMBL6498338 0.70 ALDH1A1 (0.38) POLBALDH1A1LMNATSHRKMT2A
SCHEMBL8493684 0.70 RAB9A (0.53) RAB9ANPC1ALDH1A1KDM4EHTT

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 1003/4885POLB 3509/4885NPC1 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 1003/4885POLB 3509/4885NPC1 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.