SCHEMBL20869595

SCHEMBL20869595

CCOc1ccc(-n2c(SC)nnc2-c2ccncc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.71
ALDH1A1 P00352 2/20 0.71
MAPT P10636 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
TP53 P04637 1/20 0.58
TNKS O95271 2/20 0.57
TNKS2 Q9H2K2 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
HPGD P15428 2/20 0.54
CACNA2D1 P54289 3/20 0.50
HIF1A Q16665 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL11919912 0.85 TNKS2 (0.58) TSHRALDH1A1MAPTNPSR1TP53
SCHEMBL20869674 0.82 HSD17B10 (0.56) TSHRALDH1A1MAPTNPSR1TP53
SCHEMBL11919929 0.82 NPSR1 (0.69) TSHRALDH1A1MAPTNPSR1TP53
SCHEMBL15709070 0.82 ALDH1A1 (0.64) TSHRALDH1A1MAPTNPSR1TP53
SCHEMBL13048293 0.80 ALDH1A1 (0.55) TSHRALDH1A1MAPTNPSR1TP53
SCHEMBL16486369 0.76 TP53 (0.86) TSHRALDH1A1MAPTNPSR1TP53
SCHEMBL28313035 0.74 MAPK13 (0.53) TSHRALDH1A1LMNAHTTHSD17B10
SCHEMBL20869724 0.74 PTK2 (0.47) TSHRALDH1A1MAPTNPSR1TP53
SCHEMBL16790694 0.74 TP53 (1.00) ALDH1A1MAPTNPSR1TP53LMNA
SCHEMBL16486486 0.74 TP53 (0.72) TSHRALDH1A1MAPTTP53MEN1

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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2019-04-04 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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 TSHR 3778/4885ALDH1A1 1437/4885MAPT 4517/4885

“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.