SCHEMBL5597414

SCHEMBL5597414

CC(C)(C)OC(=O)Nc1nonc1-c1nc2c(-c3cccc(Cl)c3)ncc(C(=O)O)c2n1CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MDM2 Q00987 17/20 0.40
GABRA5 P31644 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35

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
SCHEMBL14031597 0.83 SLC2A1 (0.52) TP53
SCHEMBL14031559 0.82 SLC2A1 (0.43) TP53TSHRHTTCKS1BSKP1
SCHEMBL5067678 0.82 RPS6KA5 (0.47) TP53KDM4EALDH1A1TSHRHTT
SCHEMBL5058432 0.77 CKS1B (0.39) TSHRHTTCKS1BSKP1SKP2
SCHEMBL5058527 0.77 CKS1B (0.39) TSHRHTTCKS1BSKP1SKP2
SCHEMBL4070921 0.77 SMN1; SMN2 (0.39) KDM4EALDH1A1TSHRHTTHSD17B10
SCHEMBL4069078 0.76 RPS6KA5 (0.46) TP53KDM4EALDH1A1TSHRHTT
SCHEMBL14031568 0.74 RPS6KA5 (0.47) TP53KDM4EALDH1A1TSHRHTT
SCHEMBL4071929 0.73 RPS6KA5 (0.55) TP53
SCHEMBL4070786 0.73 SLC2A1 (0.39) ALDH1A1MDM2GABRA5

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-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 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-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA TP53 37/4885KDM4E 1693/4885ALDH1A1 2956/4885

“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.