SCHEMBL2675447

SCHEMBL2675447

NC(=S)NN=C1CCCc2ccc(Br)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.62
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6337255 1.00 CTSL (0.62) CTSLMAPTGAASMN1; SMN2KDM4E
SCHEMBL19051447 0.79 ALDH1A1 (0.65) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6339429 0.77 CTSL (1.00) CTSLGAAKDM4EALDH1A1L3MBTL1
SCHEMBL6337478 0.77 CTSL (1.00) CTSLKDM4EALDH1A1L3MBTL1NPSR1
SCHEMBL6339075 0.77 CTSL (0.73) CTSLMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL23950429 0.77 L3MBTL1 (0.53) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29712462 0.77 L3MBTL1 (0.53) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL30852970 0.77 L3MBTL1 (0.53) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL15956234 0.77 L3MBTL1 (0.53) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL17312874 0.77 L3MBTL1 (0.53) MAPTGAASMN1; SMN2ALDH1A1L3MBTL1

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-8173696-B2 Inhibitors of cysteine proteases and methods of use thereof BAYLOR UNIVERSITY (US) 2012-05-08 US disclosed
US-20090076076-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF BAYLOR UNIVERSITY (US) 2009-03-19 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-20090076076-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSB, CTSS, CTSZ CTSL 6/4885MAPT 3955/4885GAA 357/4885

“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.