SCHEMBL4897708

SCHEMBL4897708

CC(C)c1cncc2ccc(-c3nnc(N[C@H](Cc4ccccc4)CN4C(=O)c5ccccc5C4=O)s3)nc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
RAB9A P51151 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31

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
SCHEMBL4899050 0.88 ALDH1A1 (0.32) ALDH1A1HTTTSHRHSD17B10MEN1
SCHEMBL4899046 0.88 ALDH1A1 (0.32) ALDH1A1HTTTSHRHSD17B10MEN1
SCHEMBL4895994 0.88 ALDH1A1 (0.32) ALDH1A1HTTTSHRHSD17B10MEN1
SCHEMBL4783105 0.88 NOX1 (0.34) ALDH1A1HTTTSHRHSD17B10TDP1
SCHEMBL4783109 0.88 NOX1 (0.34) ALDH1A1HTTTSHRHSD17B10TDP1
SCHEMBL4897704 0.87 MAPT (0.35) ALDH1A1HTTTSHRHSD17B10MEN1
SCHEMBL4891154 0.86 ALDH1A1 (0.30) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL4899239 0.86 ALDH1A1 (0.30) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL4899245 0.86 ALDH1A1 (0.30) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL4897610 0.84 NOX1 (0.32) NOX1

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR ALDH1A1 1752/4885HTT 3243/4885TSHR 2398/4885

“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.