SCHEMBL3047411

SCHEMBL3047411

Nc1ccc(Oc2cccc3c2CCN3CC(=O)N2CCN(C(Cc3ccccc3)C3=COCO3)CC2)nc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTR6 P50406 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3055934 0.92 EGLN1 (0.32) MEN1KMT2AHRH3HTR6SMN1; SMN2
SCHEMBL3061625 0.92 HRH3 (0.36) MEN1KMT2AHRH3HTR6SMN1; SMN2
SCHEMBL3050853 0.90 HSPB1 (0.32) MEN1KMT2AHRH3HTR6SMN1; SMN2
SCHEMBL3051214 0.88 HRH3 (0.35) HRH3HTR6SMN1; SMN2
SCHEMBL3058665 0.85 OPRM1 (0.38) HRH3
SCHEMBL3065126 0.85 GAA (0.39) SMN1; SMN2
SCHEMBL3057195 0.84 HTR2C (0.32)
SCHEMBL3060418 0.84 HTR2C (0.36) MEN1KMT2AHRH3SMN1; SMN2
SCHEMBL3056040 0.83 LOXL2 (0.43) MEN1KMT2AHRH3SMN1; SMN2
SCHEMBL3051012 0.76 L3MBTL1 (0.36) MEN1KMT2A

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 MEN1 275/4885KMT2A 2904/4885HRH3 19/4885

“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.