SCHEMBL17068768

SCHEMBL17068768

C=C(O)CCSc1nnc(-c2ccncc2)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.64
GSK3B P49841 6/20 0.64
MAPK1 P28482 4/20 0.62
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 4/20 0.58
GSK3A P49840 3/20 0.58
ALDH1A1 P00352 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 6/20 0.57
HSP90AA1 P07900 1/20 0.57
PTGS2 P35354 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
NCOA1 Q15788 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
GAA P10253 1/20 0.52
POLB P06746 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
SCHEMBL17068760 0.88 NPSR1 (0.60) GSK3BMAPK1CYP1A2CYP2C19HTT
SCHEMBL17068796 0.86 GLA (0.72) GLAGSK3BMAPK1CYP1A2CYP2C19
SCHEMBL17068758 0.84 HTT (0.56) GLAMAPK1HTTNPC1RAB9A
SCHEMBL17068761 0.84 SMN1; SMN2 (0.64) GLAMAPK1HTTALDH1A1NPC1
SCHEMBL17068762 0.84 HTT (0.68) MAPK1CYP1A2CYP2C19HTTALDH1A1
SCHEMBL17068755 0.81 NPC1 (0.65) GSK3BMAPK1HTTGSK3AALDH1A1
SCHEMBL5024100 0.78 GSK3B (1.00) GSK3BMAPK1CYP1A2CYP2C19HTT
SCHEMBL17068759 0.78 MAPT (0.57) GSK3BCYP1A2CYP2C19ALDH1A1NPC1
SCHEMBL17068753 0.78 MAPT (0.78) CYP1A2CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL16157159 0.75 CYP1A2 (0.66) GLAGSK3BMAPK1CYP1A2CYP2C19

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 1 patent. 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

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 GLA 1957/4885GSK3B 759/4885MAPK1 1742/4885

“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.