SCHEMBL18136607

SCHEMBL18136607

CC(=O)N1CCCC(n2cnc3ccc(C)cc32)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.43
ALDH1A1 P00352 6/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.41
USP2 O75604 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
HTR2A P28223 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL18136605 0.87 ALDH1A1 (0.46) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL25645077 0.83 PRMT5 (0.45) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL18136608 0.81 DRD2 (0.40) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL17678351 0.80 GAA (0.47) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL18136684 0.80 GAA (0.50) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL18211689 0.80 HPGD (0.39) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL18136617 0.80 TSHR (0.41) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL18136723 0.79 GAA (0.52) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL4743122 0.77 DRD2 (0.44) HPGDALDH1A1GAAKMT2AHSD17B10
SCHEMBL15944159 0.76 DRD2 (0.45) ALDH1A1KMT2AUSP2

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-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
WO-2016164641-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2016-10-13 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-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP4K2, PLK1 HPGD 2065/4885ALDH1A1 3767/4885GAA 2846/4885

“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.