SCHEMBL17068797

SCHEMBL17068797

O=C(O)CCSc1nnc(-c2cccnc2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.68
HTT P42858 2/20 0.68
MAPT P10636 2/20 0.65
THRB P10828 1/20 0.65
ALDH1A1 P00352 4/20 0.63
CYP1A2 P05177 2/20 0.63
MAPK1 P28482 1/20 0.63
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 3/20 0.62
PKM P14618 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 1/20 0.56
RECQL P46063 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL17068762 0.87 HTT (0.68) TP53HTTMAPTALDH1A1CYP1A2
SCHEMBL17068793 0.86 MAPT (0.74) TP53MAPTTHRBALDH1A1CYP1A2
SCHEMBL17068796 0.84 GLA (0.72) TP53HTTMAPTTHRBALDH1A1
SCHEMBL22607227 0.81 ALDH1A1 (0.76) TP53HTTMAPTALDH1A1CYP1A2
SCHEMBL17068787 0.79 MAPT (1.00) TP53MAPTTHRBALDH1A1CYP1A2
SCHEMBL17068757 0.79 MAPT (0.74) TP53HTTMAPTTHRBALDH1A1
SCHEMBL17068790 0.79 MAPT (0.74) TP53HTTMAPTTHRBALDH1A1
SCHEMBL9058883 0.78 HTT (0.79) TP53HTTMAPTALDH1A1CYP1A2
SCHEMBL16157161 0.78 HTT (0.70) TP53HTTMAPTALDH1A1CYP1A2
SCHEMBL17068791 0.77 TP53 (0.69) TP53HTTMAPTTHRBMAPK1

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 TP53 1126/4885HTT 3545/4885MAPT 2418/4885

“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.