SCHEMBL10076920

SCHEMBL10076920

CC(=O)C(c1cnc2sc(C)nc2c1)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LDHA P00338 1/20 0.33
MAPT P10636 2/20 0.32
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10052411 0.87 MAPT (0.33) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8922089 0.77 RAB9A (0.52) NPC1RAB9ASMN1; SMN2LDHAMAPT
SCHEMBL21607007 0.75 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2MAPTHCAR2
SCHEMBL21606987 0.72 NPC1 (0.45) NPC1RAB9ASMN1; SMN2LDHAMAPT
SCHEMBL890158 0.70 KDM4E (0.49) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL8473452 0.69 LDHA (0.55) NPC1RAB9ALDHAMAPTALDH1A1
SCHEMBL21606992 0.68 OGA (0.38) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL13747654 0.68 RAB9A (0.51) NPC1RAB9ASMN1; SMN2LDHAMAPT
SCHEMBL7921134 0.67 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2MAPTHCAR2
SCHEMBL21606993 0.67 MAPT (0.35) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178531-B2 Antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20110218175-A1 ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2011-09-08 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 (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-20110218175-A1 ANTIVIRAL AGENTS EIF2AK2, HAVCR2, MAVS NPC1 826/4885RAB9A 2172/4885SMN1; SMN2 4530/4885

“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.