SCHEMBL4781243

SCHEMBL4781243

NC(=O)c1ccc(-c2nnc(NC(Cc3ccccc3)CN3C(=O)c4ccccc4C3=O)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CSNK2A2 P19784 4/20 0.39
CSNK2A1 P68400 4/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
NOX1 Q9Y5S8 2/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4782493 0.83 CSNK2A2 (0.45) HDAC6CSNK2A2CSNK2A1ALDH1A1RAB9A
SCHEMBL4781235 0.79 AKT1 (0.45) ALDH1A1RAB9AMEN1KMT2ANOX1
SCHEMBL4781775 0.79 AKT1 (0.45) ALDH1A1RAB9AMEN1KMT2ANOX1
SCHEMBL4781239 0.79 AKT1 (0.45) ALDH1A1RAB9AMEN1KMT2ANOX1
SCHEMBL4781629 0.77 AKT1 (0.43) CSNK2A1
SCHEMBL4781631 0.77 AKT1 (0.43) CSNK2A1
SCHEMBL23357132 0.77 HDAC1 (0.46) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL23357135 0.77 HDAC1 (0.46) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL4782510 0.75 NOX1 (0.36) ALDH1A1RAB9AMEN1KMT2ANOX1
SCHEMBL4902277 0.75 AKT1 (0.41) ALDH1A1HTT

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR HDAC6 826/4885HDAC8 547/4885CSNK2A2 109/4885

“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.