SCHEMBL18006259

SCHEMBL18006259

N#Cc1[nH]nnc1-c1cccc(COc2cccc(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.45
NR4A2 P43354 2/20 0.44
MAOA P21397 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
FFAR1 O14842 1/20 0.42
F2 P00734 1/20 0.39
MPO P05164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
IGF1R P08069 1/20 0.38

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
SCHEMBL18004687 0.88 NR4A2 (0.45) MAOBNR4A2MRGPRX4FFAR1F2
SCHEMBL18004052 0.88 MAOB (0.42) MAOBNR4A2MAOAFFAR1
SCHEMBL18004709 0.87 MAOB (0.44) MAOBNR4A2MAOAMRGPRX4KDM4E
SCHEMBL18004703 0.87 MAOB (0.37) MAOBNR4A2MAOAMRGPRX4KDM4E
SCHEMBL18006253 0.86 MAOB (0.46) MAOBNR4A2MAOAFFAR1F2
SCHEMBL18004691 0.86 NR4A2 (0.44) MAOBNR4A2MAOAMAPT
SCHEMBL18006248 0.86 MAOB (0.49) MAOBMRGPRX4FFAR1
SCHEMBL18005947 0.86 NAAA (0.47) MAOBNR4A2MRGPRX4IGF1R
SCHEMBL18006264 0.86 USP7 (0.44) MAOBNR4A2MRGPRX4FFAR1F2
SCHEMBL18004689 0.86 MRGPRX4 (0.47) MAOBNR4A2MAOAMRGPRX4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
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 3664/4885NR4A2 2048/4885MAOA 4309/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAOB 3664/4885NR4A2 2048/4885MAOA 4309/4885

“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.