SCHEMBL6127601

SCHEMBL6127601

Cc1nc(N(C)C)sc1C(=O)CBr

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 2/20 0.40
GSK3B P49841 3/20 0.36
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA2A P29274 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
APEX1 P27695 1/20 0.32
POLB P06746 1/20 0.31

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
Bromide SCHEMBL6114064 0.98 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL10663971 0.84 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL8738727 0.83 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1HPGD
Bromide SCHEMBL6113873 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL6121242 0.78 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL4797009 0.78 RXFP1 (0.45) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL16434197 0.78 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL6761935 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AHPGDTSHRNPC1
SCHEMBL3067153 0.77 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL8552956 0.77 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDTSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 ALDH1A1 648/4885MAPT 3531/4885KMT2A 2435/4885

“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.