SCHEMBL2820680

SCHEMBL2820680

O=c1c(Br)c(C=Cc2cccs2)nc2ccccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL2820677 1.00 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL890634 0.81 MAPT (0.55) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL2825622 0.77 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL2825619 0.77 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL2820025 0.75 CYP11B1 (0.44) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL2820031 0.75 CYP11B1 (0.44) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL2847327 0.72 MAPT (0.51) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL2821737 0.71 MAPT (0.38) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL2821732 0.71 MAPT (0.38) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL5131549 0.68 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2GLAGAA

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 ALDH1A1 4233/4885KDM4E 1749/4885SMN1; SMN2 4045/4885

“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.