SCHEMBL7928944

SCHEMBL7928944

CCOc1ccc(OCc2ccc3[nH]c(C(C)N)nc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
ROCK2 O75116 1/20 0.42
LMNA P02545 3/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CNR2 P34972 1/20 0.39
NOS1 P29475 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
NOS3 P29474 1/20 0.36
CHEK2 O96017 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
Hydrochloric Acid SCHEMBL1391135 0.99 MEN1 (0.48) MEN1HTTKMT2AROCK2LMNA
SCHEMBL1390504 0.82 ACACB (0.46) MEN1HTTKMT2A
SCHEMBL7921440 0.81 CYP3A4 (0.48) MEN1KMT2ALMNAHSD17B10KDM4E
SCHEMBL15158092 0.81 MEN1 (0.46) MEN1HTTKMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1390654 0.81 CYP3A4 (0.47) LMNAHSD17B10KDM4EHPGD
SCHEMBL6759195 0.79 MEN1 (0.62) MEN1HTTKMT2ALMNAHSD17B10
SCHEMBL12798928 0.79 TAAR1 (0.44) LMNAHSD17B10KDM4E
SCHEMBL1390854 0.78 MEN1 (0.43) MEN1HTTKMT2AROCK2LMNA
SCHEMBL14770573 0.78 MEN1 (0.46) MEN1HTTKMT2ACNR2SMN1; SMN2
SCHEMBL7927048 0.77 PTPN1 (0.49) MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB MEN1 2828/4885HTT 1901/4885KMT2A 1599/4885

“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.