SCHEMBL8738378

SCHEMBL8738378

CC(=O)c1sc(Nc2ccccn2)nc1C

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.97
LMNA P02545 2/20 0.97
RXFP1 Q9HBX9 2/20 0.97
MAPK10 P53779 1/20 0.97
DHODH Q02127 4/20 0.59
SMN1; SMN2 Q16637 5/20 0.57
RAB9A P51151 5/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 1/20 0.55
MAPT P10636 2/20 0.54
NPC1 O15118 2/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CDK5 Q00535 5/20 0.53
CDK5R1 Q15078 5/20 0.53
KDR P35968 1/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51

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
Hydrochloric Acid SCHEMBL6114205 0.99 ALDH1A1 (0.95) ALDH1A1LMNARXFP1MAPK10DHODH
Bromide SCHEMBL6121128 0.99 ALDH1A1 (1.00) ALDH1A1LMNARXFP1MAPK10DHODH
SCHEMBL8737987 0.84 ALDH1A1 (0.71) ALDH1A1LMNARXFP1MAPK10SMN1; SMN2
Bromide SCHEMBL6114146 0.83 ALDH1A1 (0.73) ALDH1A1LMNARXFP1MAPK10SMN1; SMN2
SCHEMBL3133321 0.82 ALDH1A1 (0.67) ALDH1A1LMNARXFP1MAPK10DHODH
SCHEMBL2840136 0.81 ALDH1A1 (0.66) ALDH1A1LMNARXFP1MAPK10DHODH
SCHEMBL17324735 0.80 SMN1; SMN2 (0.76) ALDH1A1LMNARXFP1MAPK10DHODH
SCHEMBL29044464 0.77 LMNA (0.62) ALDH1A1LMNARXFP1MAPK10SMN1; SMN2
SCHEMBL29044442 0.76 LMNA (0.59) ALDH1A1LMNARXFP1MAPK10SMN1; SMN2
SCHEMBL8738730 0.75 SMN1; SMN2 (0.74) ALDH1A1LMNARXFP1MAPK10DHODH

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 752/4885RXFP1 330/4885

“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.