SCHEMBL17829690

SCHEMBL17829690

CC(C)(C)OC(=O)n1nc(-c2cccc(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.71
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42
RORC P51449 4/20 0.42
UBE2N P61088 1/20 0.41
MAPT P10636 6/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 3/20 0.39
RORB Q92753 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL1513019 0.87 MAP2K4 (0.63) MAP2K4LMNAALDH1A1NPSR1KMT2A
SCHEMBL22801731 0.83 MAP2K4 (1.00) MAP2K4CYP1A2CYP2C9CYP2C19PTGER1
SCHEMBL6375104 0.82 MAP2K4 (0.58) MAP2K4LMNANPSR1RXFP1MEN1
SCHEMBL22801565 0.81 MAP2K4 (0.62) MAP2K4LMNAALDH1A1KMT2ARORC
SCHEMBL22801675 0.81 MAP2K4 (0.72) MAP2K4RORCCYP1A2CYP2C9CYP2C19
SCHEMBL29057628 0.78 MAP2K4 (0.50) MAP2K4LMNAALDH1A1KMT2ANPC1
SCHEMBL22801706 0.78 MAP2K4 (0.68) MAP2K4MEN1KMT2ARORCMAPT
SCHEMBL6370616 0.77 MAP2K4 (0.57) MAP2K4RORCMAPTCYP1A2CYP2C9
SCHEMBL1513042 0.76 MAP2K4 (0.48) MAP2K4LMNAALDH1A1KMT2ARORC
SCHEMBL17322872 0.75 ALDH1A1 (0.71) MAP2K4LMNAALDH1A1NPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 MAP2K4 793/4885LMNA 2074/4885ALDH1A1 4840/4885

“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.