SCHEMBL8738460

SCHEMBL8738460

Cc1nc(Nc2ccncc2)sc1C(=O)CBr

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 6/20 0.52
DHODH Q02127 6/20 0.52
KDM4E B2RXH2 5/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
HTT P42858 1/20 0.45

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 SCHEMBL6114293 0.99 SMN1; SMN2 (0.54) SMN1; SMN2MAPTDHODHKDM4ENPSR1
SCHEMBL8738345 0.85 CDK5 (0.53) SMN1; SMN2MAPTKDM4ERAB9ANPC1
Bromide SCHEMBL6114093 0.84 CDK5 (0.52) SMN1; SMN2MAPTKDM4ERAB9ANPC1
SCHEMBL4924576 0.83 NPC1 (0.59) SMN1; SMN2MAPTDHODHKDM4ENPSR1
SCHEMBL8738730 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MAPTDHODHKDM4ENPSR1
Hydrochloric Acid SCHEMBL6114152 0.82 SMN1; SMN2 (0.72) SMN1; SMN2MAPTDHODHKDM4ENPSR1
SCHEMBL2832890 0.78 ALDH1A1 (0.48) SMN1; SMN2MAPTDHODHKDM4ENPSR1
SCHEMBL8737987 0.78 ALDH1A1 (0.71) SMN1; SMN2MAPTKDM4ERAB9ANPC1
Bromide SCHEMBL6114146 0.77 ALDH1A1 (0.73) SMN1; SMN2MAPTKDM4ERAB9ANPC1
SCHEMBL1593094 0.76 L3MBTL1 (0.54) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1

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 SMN1; SMN2 4061/4885MAPT 3531/4885DHODH 1166/4885

“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.