SCHEMBL3220518

SCHEMBL3220518

COc1ccc(Cc2cc3cccc(Br)c3o2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.49
LMNA P02545 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 5/20 0.43
TSHR P16473 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 3/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
PDE10A Q9Y233 2/20 0.41
PDE2A O00408 1/20 0.41
ABCC4 O15439 1/20 0.41
PDE5A O76074 1/20 0.41

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
SCHEMBL1857344 0.89 TDP1 (0.40) CA2LMNAALDH1A1MAPTKMT2A
SCHEMBL1854312 0.87 ALDH1A1 (0.50) LMNASMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL1856108 0.83 CNR2 (0.46) KMT2A
SCHEMBL1850517 0.78 LOXL2 (0.35) CA2ALDH1A1HTT
SCHEMBL1851853 0.76 PNMT (0.40) CYP3A4
SCHEMBL1852915 0.76 PARP1 (0.36) SMN1; SMN2
SCHEMBL3211830 0.75 GRM2 (0.37)
SCHEMBL3209922 0.74 GPR52 (0.49) CA2LMNASMN1; SMN2TSHRHPGD
SCHEMBL5722855 0.73 KMT2A (0.55) CA2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL1847848 0.72 GPR52 (0.51) POLBCYP3A4CYP1A2CYP2D6CYP2C9

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
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 CA2 2071/4885LMNA 3837/4885SMN1; SMN2 4263/4885

“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.