SCHEMBL2820592

SCHEMBL2820592

CCCCCc1ncc(C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NOS1 P29475 1/20 0.39
SLC6A3 Q01959 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C9 P11712 1/20 0.35
TP53 P04637 1/20 0.35
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 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
SCHEMBL18626716 0.94 ALDH1A1 (0.40) ALDH1A1NOS1SLC6A3NPSR1TDP1
SCHEMBL7894770 0.85
SCHEMBL5888997 0.80 CCNE1 (0.43) ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL2821023 0.78 ALDH1A1 (0.46) ALDH1A1NPSR1TDP1L3MBTL1SMN1; SMN2
SCHEMBL21199784 0.77 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2KCNH2KDM4E
SCHEMBL127877 0.76
SCHEMBL2818612 0.76 ALDH1A1 (0.40) ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL21199684 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4ERAB9AHSD17B10
SCHEMBL6232900 0.75
SCHEMBL21894178 0.75

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 ALDH1A1 1751/4885NOS1 519/4885SLC6A3 4768/4885

“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.