SCHEMBL3058094

SCHEMBL3058094

O=C(Nc1ccc(Oc2cccc3c2ccn3CC(=O)N2CCN(Cc3ccccc3)CC2)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.44
FAAH O00519 3/20 0.42
PRKAA2 P54646 4/20 0.40
MGLL Q99685 1/20 0.40
WNT1 P04628 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
ACKR3 P25106 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL3056414 0.90 MEN1 (0.48) FAAHMAPTKDM4EALDH1A1LMNA
SCHEMBL3061812 0.89 HIF1A (0.53) LOXL2FAAHPRKAA2RAB9A
SCHEMBL3067957 0.85 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL10181012 0.84 LOXL2 (0.38) LOXL2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3045763 0.81 KCNQ3 (0.44) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL3035668 0.79 PRKAA2 (0.58) FAAHPRKAA2KDM4EALDH1A1LMNA
SCHEMBL3059769 0.79 LMNA (0.46) LOXL2FAAHMAPTKDM4EALDH1A1
SCHEMBL3031846 0.75 MAPT (0.48) FAAHPRKAA2MAPTKDM4ERAB9A
SCHEMBL3060416 0.74 MEN1 (0.49) FAAHMAPTALDH1A1RAB9ALMNA
SCHEMBL13742301 0.74 KDM4E (0.47) MAPTKDM4ERAB9APTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 LOXL2 2070/4885FAAH 2709/4885PRKAA2 4297/4885

“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.