SCHEMBL8738341

SCHEMBL8738341

CC(=O)c1sc(Nc2cccnc2)nc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
KDM4E B2RXH2 2/20 0.66
NT5E P21589 1/20 0.61
DHODH Q02127 4/20 0.61
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.57
MAPK10 P53779 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
CDK5 Q00535 6/20 0.57
CDK5R1 Q15078 6/20 0.57
PIK3CG P48736 1/20 0.56
NPC1 O15118 3/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.52
PPARG P37231 1/20 0.52
KMT2A Q03164 1/20 0.52
NCOA2 Q15596 1/20 0.52

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 SCHEMBL6113942 0.99 RAB9A (0.64) RAB9ASMN1; SMN2KDM4ENT5EDHODH
Bromide SCHEMBL6121426 0.99 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2KDM4ENT5EDHODH
SCHEMBL8738345 0.85 CDK5 (0.53) RAB9ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL17324735 0.84 SMN1; SMN2 (0.76) RAB9ASMN1; SMN2KDM4EDHODHALDH1A1
Bromide SCHEMBL6114093 0.84 CDK5 (0.52) RAB9ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL8738730 0.83 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2KDM4EDHODHALDH1A1
Hydrochloric Acid SCHEMBL6114152 0.82 SMN1; SMN2 (0.72) RAB9ASMN1; SMN2KDM4EDHODHALDH1A1
SCHEMBL28453097 0.79 TP53 (0.73) RAB9ASMN1; SMN2KDM4ENT5EALDH1A1
SCHEMBL27971173 0.79 SMN1; SMN2 (0.97) RAB9ASMN1; SMN2KDM4EDHODHALDH1A1
SCHEMBL29101533 0.79 SMN1; SMN2 (0.81) RAB9ASMN1; SMN2KDM4EDHODHALDH1A1

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 RAB9A 1157/4885SMN1; SMN2 4061/4885KDM4E 1135/4885

“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.