SCHEMBL8738730

SCHEMBL8738730

CC(=O)c1sc(Nc2ccncc2)nc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.74
DHODH Q02127 6/20 0.68
RAB9A P51151 10/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 7/20 0.59
LMNA P02545 3/20 0.59
MAPK10 P53779 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
HPGD P15428 5/20 0.58
NPC1 O15118 8/20 0.56
MAPT P10636 5/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.53
KMT2A Q03164 2/20 0.52
USP2 O75604 2/20 0.52
TP53 P04637 2/20 0.52
CASP1 P29466 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MEN1 O00255 1/20 0.52
CASP3 P42574 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 SCHEMBL6114152 0.98 SMN1; SMN2 (0.72) SMN1; SMN2DHODHRAB9AKDM4EALDH1A1
SCHEMBL4924576 0.88 NPC1 (0.59) SMN1; SMN2DHODHRAB9AKDM4EALDH1A1
SCHEMBL29101533 0.86 SMN1; SMN2 (0.81) SMN1; SMN2DHODHRAB9AKDM4EALDH1A1
SCHEMBL17324735 0.86 SMN1; SMN2 (0.76) SMN1; SMN2DHODHRAB9AKDM4EALDH1A1
SCHEMBL27971173 0.86 SMN1; SMN2 (0.97) SMN1; SMN2DHODHRAB9AKDM4EALDH1A1
SCHEMBL10235639 0.83 DHODH (0.78) SMN1; SMN2DHODHRAB9AKDM4EALDH1A1
SCHEMBL8738460 0.83 SMN1; SMN2 (0.52) SMN1; SMN2DHODHRAB9AKDM4EALDH1A1
SCHEMBL8738341 0.83 RAB9A (0.66) SMN1; SMN2DHODHRAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6113942 0.82 RAB9A (0.64) SMN1; SMN2DHODHRAB9AKDM4EALDH1A1
Bromide SCHEMBL6121426 0.82 SMN1; SMN2 (0.65) SMN1; SMN2DHODHRAB9AKDM4EALDH1A1

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 4061/4885DHODH 1166/4885RAB9A 1157/4885

“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.