SCHEMBL14224550

SCHEMBL14224550

CN(C)CCCn1cc(NC(=O)c2ccc(F)cc2F)cc1C(=O)Nc1cc(-c2nc3ccncc3[nH]2)n(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPSE Q9Y251 1/20 0.34
MLLT1 Q03111 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
FSCN1 Q16658 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 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
SCHEMBL14224801 0.93 CYP11B2 (0.39) HDAC1HDAC2HDAC8SMN1; SMN2HPSE
SCHEMBL14224552 0.91 SMN1; SMN2 (0.43) GAASMN1; SMN2NPSR1L3MBTL1NR2E3
SCHEMBL14224553 0.88 AURKA (0.35) HDAC1HDAC2HDAC8GAASMN1; SMN2
SCHEMBL14224555 0.87 AURKA (0.34) HDAC1HDAC2HDAC8GAASMN1; SMN2
SCHEMBL14224802 0.84 MAPT (0.41) GAASMN1; SMN2NPSR1L3MBTL1MLLT1
SCHEMBL14224525 0.84 MAPT (0.35) HDAC1HDAC2HDAC8HPSEMAPT
SCHEMBL14224529 0.82 FOXO1 (0.41) SMN1; SMN2HPSEALDH1A1PKMMAPT
SCHEMBL14224798 0.82 CYP11B2 (0.40) HDAC1HDAC2HDAC8MLLT1CDK1
SCHEMBL14224793 0.81 CYP11B2 (0.36) HDAC1HDAC2HDAC8MLLT1CDK1
SCHEMBL14224756 0.80 MAPT (0.42) SMN1; SMN2NPSR1ALDH1A1MAPTTP53

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-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 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 HDAC1 339/4885HDAC2 383/4885HDAC8 1394/4885

“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.