SCHEMBL7230617

SCHEMBL7230617

CC(C)(C)OC(=O)n1c(=O)[nH]c2ccc(C(F)(F)F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KCNMA1 Q12791 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRD4 O60885 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL14934065 0.91 MAOB (0.38) HSP90AA1KDM4EALDH1A1MAOBB3GNT2
SCHEMBL4947575 0.90 MAPT (0.50) HSP90AA1ALDH1A1CA12CA9MEN1
SCHEMBL4948766 0.82 KCNQ3 (0.40) KDM4EKMT2AMAOBB3GNT2KIF11
SCHEMBL31709866 0.82 AKT2 (0.44) B3GNT2
SCHEMBL319785 0.82 DAO (0.52) CA12CA9B3GNT2
SCHEMBL14934104 0.81 MEN1 (0.41) HSP90AA1CA12CA9MEN1KMT2A
SCHEMBL8566472 0.79 HSP90AA1 (0.46) HSP90AA1KDM4EALDH1A1CA12CA9
SCHEMBL7436018 0.79 B3GNT2 (0.47) KDM4EALDH1A1MEN1KMT2AB3GNT2
SCHEMBL2256797 0.78 DAO (0.47) CA12CA9MEN1KMT2ACYP1A2
SCHEMBL22605673 0.78 HSD11B1 (0.56)

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-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-6506738-B1 Treatment of viral infections. More particularly, the invention provides benzimidazolone derivatives for the treatment of respiratory syncytial virus infection. BRISTOL-MYERS SQUIBB COMPANY 2003-01-14 US disclosed
WO-2002026228-A1 BENZIMIDAZOLONE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-04 WO 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-20080076810-A1 Benzoureas Having Anti-Diabetic Activity PPARD, PPARG, GPR119 HSP90AA1 1093/4885KDM4E 1266/4885ALDH1A1 1110/4885

“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.