SCHEMBL2821735

SCHEMBL2821735

CCCCCc1nc(CC)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.47
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.38
ECE1 P42892 1/20 0.38
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ADRB3 P13945 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
PDE5A O76074 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL31317623 0.98 SLC6A3 (0.46) SLC6A3KCNH2ALDH1A1ECE1KDM4E
SCHEMBL3849941 0.90 SLC6A3 (0.48) SLC6A3KCNH2ALDH1A1ECE1KDM4E
Acetic Acid SCHEMBL7508639 0.89 SLC6A3 (0.46) SLC6A3KCNH2ECE1KDM4EADRB3
SCHEMBL25653945 0.89 SLC6A3 (0.50) SLC6A3KCNH2ALDH1A1ECE1KDM4E
SCHEMBL6235049 0.89 KCNH2 (0.50) SLC6A3KCNH2ALDH1A1ECE1KDM4E
SCHEMBL28578070 0.87 SLC6A3 (0.46) SLC6A3KCNH2ALDH1A1ECE1KDM4E
SCHEMBL11926805 0.86 SLC6A3 (0.49) SLC6A3DRD2HTR2AHRH1HDAC1
SCHEMBL9381449 0.85 SLC6A3 (0.45) SLC6A3KCNH2ALDH1A1ECE1KDM4E
SCHEMBL19197711 0.85 KCNH2 (0.46) SLC6A3KCNH2ALDH1A1KDM4EDRD2
SCHEMBL21699960 0.84 SLC6A3 (0.52) SLC6A3KCNH2ALDH1A1DRD2HTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL IND. CO., LTD. 2010-09-23 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-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same CMA1, IL5, HRH4 SLC6A3 4768/4885KCNH2 1537/4885ALDH1A1 1751/4885

“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.