SCHEMBL3047408

SCHEMBL3047408

Nc1ccc(Oc2cccc3c2CCN3CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
LMNA P02545 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
USP2 O75604 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46

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
SCHEMBL3055931 0.92 KDM4E (0.48) TDP1LMNASMN1; SMN2USP2CASP1
SCHEMBL3061620 0.90 KDM4E (0.47) TDP1LMNASMN1; SMN2USP2CASP1
SCHEMBL3050849 0.88 ALDH1A1 (0.51) TDP1LMNASMN1; SMN2USP2CASP1
SCHEMBL3051209 0.88 MEN1 (0.48) TDP1LMNASMN1; SMN2USP2CASP1
SCHEMBL3058663 0.85 MAPT (0.49) TDP1LMNASMN1; SMN2USP2KDM4E
SCHEMBL3057193 0.84 LMNA (0.41) TDP1LMNASMN1; SMN2USP2CASP1
SCHEMBL3060416 0.84 MEN1 (0.49) TDP1LMNASMN1; SMN2USP2CASP1
SCHEMBL3065125 0.84 FAAH (0.43) TDP1LMNASMN1; SMN2USP2CASP1
SCHEMBL3056037 0.83 LMNA (0.53) TDP1LMNASMN1; SMN2USP2CASP1
SCHEMBL3052257 0.83 FAAH (0.44) TDP1LMNASMN1; SMN2USP2HTT

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 TDP1 3187/4885LMNA 1184/4885SMN1; SMN2 3814/4885

“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.