SCHEMBL14224798

SCHEMBL14224798

CN(C)CCCn1cc(NC(=O)c2ccc(Cl)cc2F)cc1C(=O)Nc1cc(-c2nc3cccnc3[nH]2)n(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
MLLT1 Q03111 1/20 0.35
NR3C1 P04150 1/20 0.34
CTNNB1 P35222 2/20 0.34
TCF7L2 Q9NQB0 2/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
HTR1F P30939 1/20 0.33
FSCN1 Q16658 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GRM4 Q14833 1/20 0.32
MET P08581 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL14224553 0.94 AURKA (0.35) CYP11B2HDAC1HDAC2HDAC8CDK1
SCHEMBL14224753 0.92 CYP11B2 (0.42) CYP11B2MLLT1CTNNB1TCF7L2HTR1F
SCHEMBL14224793 0.90 CYP11B2 (0.36) CYP11B2MLLT1NR3C1CTNNB1TCF7L2
SCHEMBL14224802 0.90 MAPT (0.41) CYP11B2MLLT1CTNNB1TCF7L2NPC1
SCHEMBL14224801 0.89 CYP11B2 (0.39) CYP11B2MLLT1NR3C1CTNNB1TCF7L2
SCHEMBL14224795 0.85 FPR1 (0.34) HDAC1HDAC2HDAC8HTTPRKCG
SCHEMBL14224526 0.85 CBLB (0.36) HDAC1HDAC2HDAC8HTTTMEM97
SCHEMBL14224552 0.83 SMN1; SMN2 (0.43) FSCN1NPC1HTTRAB9APRKCA
SCHEMBL14224555 0.83 AURKA (0.34) HDAC1HDAC2HDAC8CDK1CDK2
SCHEMBL14224755 0.82 MAPT (0.40) NPC1RAB9A

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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 CYP11B2 1414/4885MLLT1 837/4885NR3C1 3215/4885

“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.