SCHEMBL3172346

SCHEMBL3172346

CCc1c(C)nc2sc(C(=O)O)c(N)c2c1C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
CHRM4 P08173 11/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 5/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
TP53 P04637 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
PKM P14618 1/20 0.43
ATM Q13315 2/20 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
SCHEMBL425233 0.89 HTT (0.65) HTTRAB9AKMT2ANPC1NCOA3
SCHEMBL3177294 0.85 MAPT (0.62) HTTRAB9AKMT2ANPC1NCOA3
SCHEMBL14955057 0.84 RAB9A (0.51) HTTRAB9AKMT2ANPC1NCOA3
SCHEMBL14955139 0.83 CHRM4 (0.68) HTTRAB9AKMT2ANPC1NCOA3
SCHEMBL13392971 0.83 HTT (0.47) HTTRAB9AKMT2ANPC1NCOA3
SCHEMBL3176192 0.82 ALDH1A1 (0.51) HTTRAB9AKMT2ANPC1NCOA3
SCHEMBL3171779 0.81 CHRM4 (0.53) HTTRAB9AKMT2ANPC1NCOA3
SCHEMBL3166637 0.80 MAPT (0.44) HTTRAB9AKMT2ANPC1NCOA3
SCHEMBL28973940 0.79 CHRM4 (0.70) CHRM4MAPTTP53CHRM2CHRM1
SCHEMBL21048217 0.74 MAPT (0.50) HTTRAB9AKMT2ANPC1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-7645881-B2 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication PTC THERAPEUTICS, INC. (US) 2010-01-12 US disclosed
EP-1781289-A1 THIENOPYRIDINES FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-05-09 EP disclosed
WO-2006019832-A1 THIENOPYRIDINES FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed
US-20060019976-A1 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication PTC THERAPEUTICS, INC. 2006-01-26 US 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-20100099672-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS HTT 3303/4885RAB9A 3935/4885KMT2A 4029/4885
US-20060019976-A1 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication DIMT1, EIF2AK2, ELL HTT 3639/4885RAB9A 3380/4885KMT2A 1848/4885

“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.