SCHEMBL18006355

SCHEMBL18006355

N#Cc1[nH]nnc1-c1cccc(OCCc2cccc(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM5 P41594 2/20 0.36
GP6 Q9HCN6 1/20 0.36
NR4A2 P43354 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 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
SCHEMBL18004881 0.90 GPR84 (0.39) MAOBSIRT2GP6NR4A2KDM4E
SCHEMBL18006428 0.90 LMNA (0.43) LMNAMAPK1HTTSMN1; SMN2MEN1
SCHEMBL18004433 0.89 NR4A2 (0.47) MAOBGRM5NR4A2MAOA
SCHEMBL18006388 0.87 SIRT2 (0.39) MAOBSIRT2HTR2CSLC6A4HTR2B
SCHEMBL18004691 0.84 NR4A2 (0.44) MAOBGRM5NR4A2TP53POLB
SCHEMBL26070951 0.84 SIRT2 (0.42) MAOBSIRT2HTR2CSLC6A4HTR2B
SCHEMBL18006387 0.84 KDM4E (0.41) MAOBSIRT2MAPK1GP6NR4A2
SCHEMBL18004882 0.84 SIRT2 (0.41) MAOBSIRT2LMNAHTTNR4A2
SCHEMBL18006426 0.84 CYP11B1 (0.41) MAOBMEN1ALDH1A1KMT2AMAOA
SCHEMBL18006354 0.83 SIRT2 (0.40) SIRT2NR4A2TP53MAPT

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-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 MAOB 3664/4885SIRT2 277/4885HTR2C 4812/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAOB 3664/4885SIRT2 277/4885HTR2C 4812/4885

“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.