SCHEMBL3050853

SCHEMBL3050853

O=C(CN1CCc2c(Oc3ccc([N+](=O)[O-])cn3)cccc21)N1CCN(C(Cc2ccccc2)C2=COCO2)CC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 6/20 0.31
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
PPARG P37231 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTR6 P50406 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
SCHEMBL3047411 0.90 MEN1 (0.31) KMT2AMEN1SMN1; SMN2HRH3HTR6
SCHEMBL3055934 0.90 EGLN1 (0.32) KMT2AMEN1ALDH1A1SMN1; SMN2HRH3
SCHEMBL3061625 0.90 HRH3 (0.36) KMT2AMEN1SMN1; SMN2HRH3HTR6
SCHEMBL3051214 0.86 HRH3 (0.35) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL3051012 0.86 L3MBTL1 (0.36) HSPB1KMT2AMEN1MAPTL3MBTL1
SCHEMBL3065126 0.83 GAA (0.39) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL3057195 0.83 HTR2C (0.32) GAA
SCHEMBL3060418 0.83 HTR2C (0.36) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL3050849 0.77 ALDH1A1 (0.51) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL3055715 0.77 HSPB1 (0.43) HSPB1POLBKMT2AMEN1ALDH1A1

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
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US 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 HSPB1 1640/4885POLB 4006/4885KMT2A 2904/4885

“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.