SCHEMBL8737987

SCHEMBL8737987

Cc1nc(Nc2ccccn2)sc1C(=O)CBr

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
LMNA P02545 3/20 0.71
MAPK10 P53779 1/20 0.71
RXFP1 Q9HBX9 1/20 0.71
CDK5 Q00535 6/20 0.49
CDK5R1 Q15078 6/20 0.49
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
MAPT P10636 7/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDR P35968 2/20 0.47
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
LCK P06239 2/20 0.44
TRPV4 Q9HBA0 1/20 0.44
USP2 O75604 1/20 0.43

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 SCHEMBL6114146 0.99 ALDH1A1 (0.73) ALDH1A1LMNAMAPK10RXFP1CDK5
SCHEMBL8738378 0.84 ALDH1A1 (0.97) ALDH1A1LMNAMAPK10RXFP1CDK5
Hydrochloric Acid SCHEMBL6114205 0.83 ALDH1A1 (0.95) ALDH1A1LMNAMAPK10RXFP1CDK5
Bromide SCHEMBL6121128 0.83 ALDH1A1 (1.00) ALDH1A1LMNAMAPK10RXFP1CDK5
SCHEMBL2832890 0.82 ALDH1A1 (0.48) ALDH1A1LMNAMAPK10RXFP1NPC1
SCHEMBL8738460 0.78 SMN1; SMN2 (0.52) ALDH1A1LMNACDK5CDK5R1NPC1
Bromide SCHEMBL6114293 0.77 SMN1; SMN2 (0.54) ALDH1A1LMNAMAPK10RXFP1CDK5
SCHEMBL8738345 0.77 CDK5 (0.53) ALDH1A1LMNACDK5CDK5R1NPC1
SCHEMBL29044464 0.76 LMNA (0.62) ALDH1A1LMNAMAPK10RXFP1CDK5
Bromide SCHEMBL6114093 0.76 CDK5 (0.52) ALDH1A1LMNACDK5CDK5R1NPC1

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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US 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 648/4885LMNA 752/4885MAPK10 3164/4885

“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.