SCHEMBL5576540

SCHEMBL5576540

COc1c(C(=O)NC(C)(C)C)n(CC(C)(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
CCR2 P41597 1/20 0.34
POLB P06746 2/20 0.34
APEX1 P27695 1/20 0.34
PDE10A Q9Y233 2/20 0.34
ABCB11 O95342 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KRAS P01116 1/20 0.32
CNR2 P34972 2/20 0.32
TP53 P04637 1/20 0.32
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM2 Q14416 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5576892 0.87 PDE3B (0.39) ALDH1A1KDM4EGAACCR2POLB
SCHEMBL5576340 0.85 CCR2 (0.46) ALDH1A1KDM4EGAACCR2POLB
SCHEMBL5577131 0.82 GABRA1 (0.35) ALDH1A1KDM4EGAACCR2POLB
Hydrochloric Acid SCHEMBL5577115 0.80 MEN1 (0.37) ALDH1A1KDM4EPOLBPDE10A
SCHEMBL5576492 0.78 MAPK8 (0.37) ALDH1A1KDM4EGAAPOLBNPSR1
Hydrochloric Acid SCHEMBL5577102 0.78 HTR4 (0.46) ALDH1A1KDM4EGAANPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL5577110 0.77 MAPK1 (0.47) CYP2C19TSHR
SCHEMBL5576507 0.76 SIGMAR1 (0.48) ALDH1A1KDM4ETP53TSHRRAB9A
Hydrochloric Acid SCHEMBL5577118 0.74 SIGMAR1 (0.52) ALDH1A1KDM4EGAAPOLBTP53
SCHEMBL5576873 0.74 DPP4 (0.36) ALDH1A1GAACCR2POLBABCB11

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-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR ALDH1A1 2961/4885KDM4E 2749/4885GAA 4885/4885

“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.