SCHEMBL18006362

SCHEMBL18006362

N#Cc1[nH]nnc1-c1cccc(OCc2cccc(-n3cccn3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
CYP11B1 P15538 4/20 0.37
GRM5 P41594 1/20 0.37
IGF1R P08069 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CYP11B2 P19099 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
NAAA Q02083 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MPO P05164 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
SCHEMBL26070965 0.86 IGF1R (0.42) LMNAIGF1RSIRT2SIRT1SIRT3
SCHEMBL18005947 0.81 NAAA (0.47) LMNACYP11B1IGF1RHPGDHTT
SCHEMBL18006408 0.80 CYP4F2 (0.47) CYP11B1GRM5CYP11B2FFAR4
SCHEMBL18004433 0.79 NR4A2 (0.47) CYP11B1GRM5IGF1RCYP11B2
SCHEMBL18004687 0.79 NR4A2 (0.45) CYP11B1NAAAFFAR4
SCHEMBL18006330 0.79 NAAA (0.40) CYP11B1IGF1RKDM4EKMT2ANAAA
SCHEMBL18006248 0.77 MAOB (0.49)
SCHEMBL18004691 0.77 NR4A2 (0.44) CYP11B1GRM5CYP11B2
SCHEMBL18006253 0.77 MAOB (0.46) KDM4EHTTL3MBTL1
SCHEMBL18006259 0.77 MAOB (0.45) IGF1RKDM4EKMT2AMPO

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 LMNA 4192/4885CYP11B1 126/4885GRM5 1425/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 LMNA 4192/4885CYP11B1 126/4885GRM5 1425/4885

“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.