SCHEMBL1009828

SCHEMBL1009828

COC(=O)c1ccc(Cn2nc(C(C)C)c3c2CCCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
POLB P06746 3/20 0.49
FAAH O00519 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CHKA P35790 1/20 0.44
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 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
SCHEMBL1007634 0.87 PTGER4 (0.44) RAB9AGAAPOLBMEN1KMT2A
SCHEMBL1009877 0.83 HRH3 (0.51) RAB9AMEN1KMT2ACHKAMAPT
SCHEMBL1007656 0.82 RAB9A (0.51) RAB9AGAAPOLBFAAHMEN1
SCHEMBL1005669 0.80 GAA (0.48) RAB9AGAAPOLBFAAHMEN1
SCHEMBL20866265 0.77 LMNA (0.44) RAB9APOLBMEN1KMT2ALMNA
SCHEMBL20866466 0.77 TSHR (0.45) POLBMAPTALDH1A1TSHR
SCHEMBL1008235 0.74 HRH3 (0.46) RAB9AGAAPOLBMEN1KMT2A
SCHEMBL20866507 0.74 TDP1 (0.43) GAAPOLBMAPTLMNATSHR
SCHEMBL1007201 0.72 POLB (0.56) GAAPOLBMEN1KMT2AMAPT
SCHEMBL182557 0.72 MEN1 (0.43) RAB9APOLBMEN1KMT2ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 RAB9A 1932/4885GAA 4077/4885POLB 3571/4885

“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.