SCHEMBL1704320

SCHEMBL1704320

COc1cccc(NC(=O)c2sccc2NC(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NLRP3 Q96P20 1/20 0.59
MAPT P10636 3/20 0.57
RXFP1 Q9HBX9 1/20 0.57
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.56
PKM P14618 3/20 0.56
TP53 P04637 2/20 0.56
POLB P06746 3/20 0.55
KDM1A O60341 1/20 0.55
RCOR1 Q9UKL0 1/20 0.55
TRPV1 Q8NER1 1/20 0.54
CISD2 Q8N5K1 1/20 0.54
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
MEN1 O00255 2/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL30300673 0.85 RAB9A (0.65) RAB9ANPC1SMN1; SMN2NLRP3MAPT
SCHEMBL1704322 0.85 MEN1 (0.63) RAB9ANPC1SMN1; SMN2MAPTRXFP1
SCHEMBL1704235 0.82 LMNA (0.54) RAB9ANPC1SMN1; SMN2MAPTRXFP1
SCHEMBL1703658 0.82 RAB9A (0.52) RAB9ANPC1SMN1; SMN2NLRP3MAPT
SCHEMBL1703768 0.82 RAB9A (0.64) RAB9ANPC1SMN1; SMN2NLRP3MAPT
SCHEMBL31728556 0.80 RAB9A (0.71) RAB9ANPC1SMN1; SMN2NLRP3MAPT
SCHEMBL2095227 0.80 RAB9A (0.71) RAB9ANPC1SMN1; SMN2NLRP3MAPT
Fluoride SCHEMBL11799148 0.79 RAB9A (0.69) RAB9ANPC1SMN1; SMN2NLRP3MAPT
SCHEMBL1703824 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2NLRP3MAPT
SCHEMBL1704103 0.76 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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 1996/4885NPC1 3005/4885SMN1; SMN2 3934/4885

“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.