SCHEMBL10314611

SCHEMBL10314611

CN(CCO)C(=O)c1sc2c(c1OCc1ccccc1)c(=O)n(C)c1ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
POLB P06746 2/20 0.42
ACKR3 P25106 1/20 0.42
HDAC6 Q9UBN7 3/20 0.42
SGMS2 Q8NHU3 5/20 0.41
SGMS1 Q86VZ5 4/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2C P28335 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL10314647 0.93 TP53 (0.42) TP53POLBACKR3HDAC6SGMS2
SCHEMBL1060920 0.91 TP53 (0.47) TP53POLBACKR3HDAC6SGMS2
SCHEMBL1059807 0.91 TP53 (0.60) TP53POLBACKR3HDAC6SGMS2
SCHEMBL10314355 0.90 TP53 (0.46) TP53POLBACKR3HDAC6SGMS2
SCHEMBL1062576 0.87 TP53 (0.48) TP53POLBACKR3HDAC6SGMS2
SCHEMBL10314381 0.86 TP53 (0.55) TP53POLBACKR3HDAC6SGMS2
SCHEMBL10314348 0.86 TP53 (0.46) TP53POLBACKR3HDAC6SGMS2
SCHEMBL1060880 0.86 TP53 (0.46) TP53POLBHDAC6SGMS2SGMS1
Trifluoroacetic Acid SCHEMBL1063419 0.86 TP53 (0.43) TP53POLBACKR3HDAC6SGMS2
SCHEMBL1063175 0.85 KDM4E (0.49) TP53POLBACKR3HDAC6HDAC1

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-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 TP53 3584/4885POLB 4444/4885ACKR3 1505/4885

“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.