SCHEMBL10052161

SCHEMBL10052161

CC(C)c1nc(-c2ccccc2-c2ccccc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SLC6A3 Q01959 1/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AR P10275 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL2754043 0.86 ALDH1A1 (0.55) RAB9ASMN1; SMN2SENP8SENP7SENP6
SCHEMBL10052165 0.83 KMT2A (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL24696014 0.81 ATP4A (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1SLC6A3
SCHEMBL12591884 0.80 CYP19A1 (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL24696020 0.80 HSD17B10 (0.60) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL12591900 0.80 MPL (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1SLC6A3
SCHEMBL2752581 0.79 MAPT (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1SLC6A3
SCHEMBL10052158 0.79 MAPT (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL10094543 0.78 CYP19A1 (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL13475977 0.77 GRM5 (0.54) RAB9ASMN1; SMN2CASP3SENP8SENP7

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-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS PHARMASCIENCE INC. (CA) 2012-01-12 US disclosed
US-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS PHARMASCIENCE INC. (CA) 2012-01-12 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-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS BIRC5, BIRC7, BIRC2 RAB9A 1245/4885SMN1; SMN2 1759/4885CASP3 198/4885

“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.