SCHEMBL17068757

SCHEMBL17068757

O=C(O)CCSc1nnc(-c2cccc(Br)c2)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
THRB P10828 1/20 0.74
TP53 P04637 4/20 0.61
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 1/20 0.61
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 3/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 2/20 0.50
HPGD P15428 1/20 0.50
GFER P55789 1/20 0.50
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL17068793 0.85 MAPT (0.74) MAPTTHRBTP53KDM4EHSD17B10
SCHEMBL17068787 0.85 MAPT (1.00) MAPTTHRBTP53KDM4EHSD17B10
SCHEMBL17068790 0.85 MAPT (0.74) MAPTTHRBTP53KDM4EHSD17B10
SCHEMBL11888635 0.84 NPC1 (0.55) MAPTTHRBTP53KDM4EHSD17B10
SCHEMBL17068799 0.82 MAPT (0.73) MAPTTHRBTP53KDM4EHSD17B10
SCHEMBL17068797 0.79 TP53 (0.68) MAPTTHRBTP53KDM4EHSD17B10
SCHEMBL17068796 0.78 GLA (0.72) MAPTTHRBTP53KDM4EHSD17B10
SCHEMBL17068795 0.76 MAPT (0.73) MAPTTHRBTP53KDM4EHSD17B10
SCHEMBL17068791 0.76 TP53 (0.69) MAPTTHRBTP53KDM4EHSD17B10
SCHEMBL11887826 0.75 MAPT (0.73) MAPTTP53KDM4EHSD17B10NPSR1

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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 US disclosed
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS RHOA, ARHGEF1, ARHGEF2 MAPT 2418/4885THRB 1319/4885TP53 1126/4885

“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.