SCHEMBL6318740

SCHEMBL6318740

Cc1c(CCCNC(=O)OC(C)(C)C)c(N2CC[C@H](N(C)C)C2)n2c(nc3ccccc32)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
TSHR P16473 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HIF1A Q16665 1/20 0.47
KMT2A Q03164 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 3/20 0.45
BRD4 O60885 3/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6654992 0.90 ALDH1A1 (0.56) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6319889 0.87 ALDH1A1 (0.53) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6311130 0.84 HIF1A (0.57) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6312311 0.83 ALDH1A1 (0.57) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6310374 0.83 ALDH1A1 (0.43) ALDH1A1HPGDTSHRCASP1CASP7
Formic Acid SCHEMBL6313188 0.82 NPSR1 (0.54) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6309879 0.82 MEN1 (0.57) ALDH1A1HPGDTSHRCASP1CASP7
Hydrochloric Acid SCHEMBL6311165 0.82 HIF1A (0.55) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6398897 0.80 HIF1A (0.51) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6314338 0.80 HIF1A (0.56) ALDH1A1HPGDTSHRCASP1CASP7

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-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 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 (2 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP ALDH1A1 677/4885HPGD 1227/4885TSHR 2272/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP ALDH1A1 977/4885HPGD 1186/4885TSHR 2470/4885

“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.