SCHEMBL2102597

SCHEMBL2102597

[CH2]CCN1CCCCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
PSMB1 P20618 3/20 0.38
PSMB5 P28074 3/20 0.38
PSMB2 P49721 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL737335 1.00 HRH3 (0.55) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL736624 1.00 HRH3 (0.55) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL12504205 1.00 HRH3 (0.55) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL246069 1.00
SCHEMBL19837631 0.97 HRH3 (0.52) HRH3LMNAALDH1A1MAPTPOLB
Water SCHEMBL29029809 0.97 HRH3 (0.52) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL11716 0.97
SCHEMBL787670 0.90
SCHEMBL5087744 0.88 POLB (0.46) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL387453 0.83

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-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP 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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 HRH3 2038/4885LMNA 3749/4885ALDH1A1 1579/4885

“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.