SCHEMBL7089977

SCHEMBL7089977

Cc1nc(-c2cccc(CN(CCC#N)C(=O)Oc3ccc(-c4ccccc4S(=O)(=O)NC(C)(C)C)cc3)c2)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
F10 P00742 2/20 0.36
LIMK1 P53667 2/20 0.35
LIMK2 P53671 2/20 0.35
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
ABHD6 Q9BV23 1/20 0.34
CYP2C9 P11712 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7087252 0.92 TP53 (0.36) F10PPARGPPARAABHD6GPR119
SCHEMBL7087032 0.85 PPARG (0.32) F10PPARGPPARAABHD6GPR119
SCHEMBL7087198 0.82 RAB9A (0.42) PPARGPPARAABHD6CYP2C9KCNH2
SCHEMBL7087239 0.82 ALDH1A1 (0.41) ALDH1A1PPARGPPARAABHD6CYP2C9
SCHEMBL7072844 0.80 LTB4R2 (0.40) ALDH1A1LMNATSHRRAB9A
SCHEMBL7098737 0.79 LMNA (0.40) ALDH1A1ALOX5APFEN1CYP2C9LMNA
SCHEMBL7098768 0.79 ALDH1A1 (0.46) ALDH1A1F10
SCHEMBL7072269 0.78 F10 (0.42) ALDH1A1F10TSHR
SCHEMBL6752250 0.78 MAPT (0.39) ALDH1A1F10ALOX5APFEN1LMNA
SCHEMBL6749855 0.76 MAPT (0.37) ALDH1A1F10ALOX5APFEN1LMNA

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-20030199698-A1 Carbamic acid esters as inhibitors of factor xa MERCK PATENT GMBH (DE) 2003-10-23 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-20030199698-A1 Carbamic acid esters as inhibitors of factor xa F11, F12, F13A1 ALDH1A1 985/4885F10 5/4885LIMK1 4458/4885

“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.