SCHEMBL5532789

SCHEMBL5532789

COC(=O)c1ccnc(NCS(C)(=O)=O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 2/20 0.40
▸ ATR Q13535 1/20 0.40
▸ PSMD14 O00487 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ GLA P06280 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ SLC40A1 Q9NP59 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 2/20 0.34

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
SCHEMBL5159398 0.79 KDM6B (0.41) BDKRB1ATRPSMD14ALDH1A1KDM4E
SCHEMBL31133297 0.78 ATR (0.46) ATRPSMD14ALDH1A1KDM4EGLA
SCHEMBL23500690 0.75 ATR (0.48) ATRPSMD14ALDH1A1KDM4EGLA
SCHEMBL3630664 0.73 GAA (0.51) ATRPSMD14ALDH1A1KDM4EGLA
SCHEMBL1970174 0.73 ATR (0.56) ATRPSMD14ALDH1A1KDM4EGLA
SCHEMBL23500830 0.70 ATR (0.50) ATRPSMD14ALDH1A1KDM4EGLA
SCHEMBL4075916 0.70 ATR (0.47) ATRPSMD14ALDH1A1KDM4EGLA
SCHEMBL1972332 0.70 ATR (0.44) ATRPSMD14ALDH1A1KDM4EGLA
SCHEMBL1970944 0.69 ATR (0.40) ATRPSMD14ALDH1A1KDM4EGLA
SCHEMBL22056725 0.68 RXFP1 (0.49) ATRPSMD14ALDH1A1KDM4EGLA

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-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 — — 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP BDKRB1 593/4885ATR 1281/4885PSMD14 3218/4885

“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.

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