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SCHEMBL4021949

SCHEMBL4021949

CN(C)n1cc(C(=O)O)c(=O)c2cc(CCCOCCC#N)ccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ CHRM1 P11229 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ TOP1 P11387 2/20 0.32
▸ GSK3B P49841 1/20 0.31

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
SCHEMBL5010988 0.99 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL5005805 0.88 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4026856 0.87 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4961642 0.86 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL14530146 0.85 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3815329 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL14529767 0.84 PPARA (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3812721 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10TSHR
Trifluoroacetic Acid SCHEMBL3291762 0.82 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL5012269 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 — — US disclosed
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 — — US disclosed
US-7547679-B2 Ether linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O (HR) 2009-06-16 — — US disclosed
US-20060258600-A1 14- or 15-Membered macrolides substituted at the 4'' position such as 4''-O-[2-(2-{2-[2-(3-Carboxy-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydro-quinolin-6-ylamino)-ethoxy]-ethoxy}-ethylamino)-ethyl]-azithromycin 11,12-cyclic carbonate; therapy or prophylaxis of systemic or topical microbial infections PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-11-16 — — 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-20060258600-A1 14- or 15-Membered macrolides substituted at the 4'' position such as 4''-O-[2-(2-{2-[2-(3-Carboxy-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydro-quinolin-6-ylamino)-ethoxy]-ethoxy}-ethylamino)-ethyl]-azithromycin 11,12-cyclic carbonate; therapy or prophylaxis of systemic or topical microbial infections IL17A, IL15, CASP14 KDM4E 1422/4885ALDH1A1 3802/4885HPGD 1966/4885

“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.