SCHEMBL2821732

SCHEMBL2821732

O=c1c(Br)c(/C=C/c2cccc3c2OCO3)nc2ccccn12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 4/20 0.37
ALDH1A1 P00352 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GLA P06280 1/20 0.35
POLB P06746 3/20 0.35
GFER P55789 1/20 0.35
MAOB P27338 3/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL2821737 1.00 MAPT (0.38) MAPTKDM4ENPSR1GAAALDH1A1
SCHEMBL2819396 0.80 MAOB (0.41) MAPTKDM4ENPSR1GAAALDH1A1
SCHEMBL2819398 0.80 MAOB (0.41) MAPTKDM4ENPSR1GAAALDH1A1
SCHEMBL890634 0.77 MAPT (0.55) MAPTKDM4ENPSR1GAAALDH1A1
SCHEMBL2822006 0.71 CNR2 (0.34) MAPTKDM4EGAAALDH1A1L3MBTL1
SCHEMBL2822010 0.71 CNR2 (0.34) MAPTKDM4EGAAALDH1A1L3MBTL1
SCHEMBL2825619 0.71 KDM4E (0.46) MAPTKDM4ENPSR1GAAALDH1A1
SCHEMBL2820677 0.71 ALDH1A1 (0.40) MAPTKDM4ENPSR1GAAALDH1A1
SCHEMBL2820680 0.71 ALDH1A1 (0.40) MAPTKDM4ENPSR1GAAALDH1A1
SCHEMBL2825622 0.71 KDM4E (0.46) MAPTKDM4ENPSR1GAAALDH1A1

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-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators TRPV3, TRPV1, TRPV5 MAPT 1674/4885KDM4E 1749/4885NPSR1 48/4885

“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.