SCHEMBL18003993

SCHEMBL18003993

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.50
MAOB P27338 9/20 0.49
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
MAOA P21397 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL18004689 0.96 MRGPRX4 (0.47) NR4A2MAOBNR1H2NR1H3MRGPRX4
SCHEMBL18004811 0.95 NR4A2 (0.47) NR4A2MAOBNR1H2NR1H3MRGPRX4
SCHEMBL18004436 0.93 NR4A2 (0.41) NR4A2MAOBNR1H2NR1H3MRGPRX4
SCHEMBL18004316 0.91 MAOB (0.46) NR4A2MAOBNR1H2NR1H3MRGPRX4
SCHEMBL18004882 0.90 SIRT2 (0.41) NR4A2MAOBNR1H2NR1H3POLB
SCHEMBL18004185 0.89 MAOB (0.44) NR4A2MAOBNR1H2NR1H3MRGPRX4
SCHEMBL18004085 0.89 NR4A2 (0.38) NR4A2MAOBNR1H2NR1H3MAPT
SCHEMBL18004690 0.88 FFAR1 (0.47) NR4A2MAOBMRGPRX4FFAR1
SCHEMBL16398800 0.88 MRGPRX4 (0.39) NR4A2MAOBMRGPRX4FFAR1
SCHEMBL18004934 0.88 IDO1 (0.43) NR4A2MAOBMRGPRX4POLBIDO1

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 NR4A2 2048/4885MAOB 3664/4885NR1H2 552/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NR4A2 2048/4885MAOB 3664/4885NR1H2 552/4885

“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.