SCHEMBL1703658

SCHEMBL1703658

CCC(Cl)C(=O)Nc1ccsc1C(=O)Nc1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 4/20 0.52
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
POLB P06746 3/20 0.47
KDM1A O60341 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 5/20 0.47
PKM P14618 2/20 0.47
TP53 P04637 2/20 0.47
NLRP3 Q96P20 1/20 0.47
MEN1 O00255 3/20 0.47
GRM4 Q14833 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL1703558 0.87 MAPT (0.56) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL1703806 0.85 L3MBTL1 (0.51) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL1704320 0.82 RAB9A (0.61) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL1704097 0.80 MEN1 (0.43) RAB9ASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL1703499 0.80 PKM (0.52) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL1704203 0.77 L3MBTL1 (0.46) SMN1; SMN2MAPTALDH1A1HPGDLMNA
SCHEMBL30300673 0.75 RAB9A (0.65) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL1703768 0.74 RAB9A (0.64) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL1703491 0.72 LMNA (0.49) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL19592390 0.71 ALDH1A1 (0.62) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441768-A1 Thienopyrimidinones for treatment of inflammatory disorders and cancers Eli Lilly & Co. (US) 2012-04-18 EP disclosed
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 US disclosed
EP-2097422-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS Eli Lilly & Co. (US) 2009-09-09 EP disclosed
WO-2008064018-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ELI LILLY & CO. (US) 2008-05-29 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 (1 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-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS PIK3CA, PIK3CD, PIK3CB RAB9A 1996/4885SMN1; SMN2 3934/4885NPC1 3005/4885

“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.