SCHEMBL10052157

SCHEMBL10052157

CC(C)c1nc(C(=O)c2ccccc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.56
KMT2A Q03164 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SLC6A3 Q01959 1/20 0.43
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 4/20 0.42
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP3A4 P08684 2/20 0.41
ABCB1 P08183 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
PTGS1 P23219 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41

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
SCHEMBL10052164 0.86 TLR7 (0.48) TLR7KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL10052241 0.84 TLR7 (0.47) TLR7KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL27830319 0.84 TLR7 (0.54) TLR7KMT2AHDAC1HDAC8HDAC6
SCHEMBL314037 0.79 TLR7 (0.53) TLR7HDAC1HDAC8HDAC6SLC6A3
SCHEMBL13475954 0.78 TLR7 (0.53) TLR7KMT2ACNR2ALDH1A1MAPT
SCHEMBL5512650 0.76 TLR7 (0.50) TLR7KMT2AHDAC1HDAC8HDAC6
SCHEMBL1669181 0.76 KMT2A (0.52) KMT2ACNR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL4455537 0.76 KMT2A (0.52) KMT2ACNR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL21495006 0.76 HDAC1 (0.42) TLR7KMT2AHDAC1HDAC8HDAC6
SCHEMBL13827949 0.75 TLR7 (0.53) TLR7KMT2AHDAC1HDAC8HDAC6

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 1 patent. 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

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 TLR7 3296/4885KMT2A 4154/4885HDAC1 922/4885

“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.