SCHEMBL1312913

SCHEMBL1312913

CCN1CCCC1CNC(C)(C=O)n1c(C)c(NC=O)c(C)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 5/20 0.33
ATM Q13315 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL1312915 0.83 ALDH1A1 (0.38) ALDH1A1L3MBTL1TDP1DRD2RAB9A
SCHEMBL1312421 0.76 DRD2 (0.35) ALDH1A1KMT2AL3MBTL1DRD2ATM
SCHEMBL1312314 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AL3MBTL1DRD2RAB9A
SCHEMBL1313252 0.73 L3MBTL1 (0.46) ALDH1A1KMT2AL3MBTL1DRD2RAB9A
SCHEMBL2856349 0.67 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1DRD2ATM
SCHEMBL10245202 0.65 ALDH1A1 (0.51) ALDH1A1KMT2AL3MBTL1DRD2ATM
SCHEMBL10245151 0.65 ALDH1A1 (0.51) ALDH1A1KMT2AL3MBTL1DRD2ATM
SCHEMBL15471248 0.65 ALDH1A1 (0.51) ALDH1A1KMT2AL3MBTL1DRD2ATM
SCHEMBL1313787 0.64 ADRA2A (0.37) ALDH1A1
SCHEMBL1402224 0.63 L3MBTL1 (0.30) L3MBTL1

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-8829039-B2 Dihydroindolinone derivatives SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2014-09-09 US disclosed
US-20110275671-A1 DIHYDROINDOLINONE DERIVATIVES Shanghai Institute of Pharmaceutical Indusrty (CN) 2011-11-10 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-20110275671-A1 DIHYDROINDOLINONE DERIVATIVES LCK, CDK5, ABL1 ALDH1A1 1192/4885KMT2A 2518/4885L3MBTL1 4756/4885

“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.