SCHEMBL5447291

SCHEMBL5447291

COC(=O)c1ccc2c(-c3ccccc3)cn(CC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PTGER4 P35408 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A3 P47895 1/20 0.36
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 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
SCHEMBL771789 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL5442286 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EPTGER4GAALMNA
SCHEMBL4342789 0.78 CPT2 (0.44) ALDH1A1KDM4EMTNR1AMTNR1BMAPT
SCHEMBL5442599 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EPTGER4LMNASMN1; SMN2
SCHEMBL5447286 0.77 POLB (0.36) MAPT
SCHEMBL5442276 0.73 MAPK8 (0.37) ALDH1A1KDM4EPTGER4MAPTSMN1; SMN2
SCHEMBL27147348 0.71 DYRK1A (0.49) ALDH1A1KDM4EPTGER4SCN9A
SCHEMBL13837256 0.69 CFD (0.47) ALDH1A1KDM4EMTNR1AMTNR1BPTGER4
SCHEMBL27154619 0.68 KCNH2 (0.38) ALDH1A1KDM4EPTGER4MAPK1BRD4
SCHEMBL27140701 0.68 CTSA (0.36) SCN9A

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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT ALDH1A1 119/4885KDM4E 2022/4885CCNE2 473/4885

“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.