SCHEMBL6978298

SCHEMBL6978298

CC(=O)c1sc2nc(C(C)C)[nH]c(=O)c2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.48
KDM4E B2RXH2 9/20 0.48
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
MAPT P10636 7/20 0.48
HPGD P15428 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
RXFP1 Q9HBX9 3/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ESR2 Q92731 1/20 0.48
ADORA3 P0DMS8 1/20 0.44
POLB P06746 6/20 0.42
GAA P10253 2/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL16298729 0.82 MAPK1 (0.63) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6978295 0.80 MAPK1 (0.65) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL8200928 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL11518701 0.77 KMT2A (0.57) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL11479996 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL8188109 0.76 KMT2A (0.48) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL11480002 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL13343465 0.74 ALDH1A1 (0.74) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3493372 0.71 POLB (0.53) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL8195523 0.71 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2AMEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 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-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 ALDH1A1 1185/4885KDM4E 3970/4885KMT2A 4363/4885

“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.