SCHEMBL16400445

SCHEMBL16400445

O=Cc1cc(C(F)(F)F)ccc1/C=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
NFE2L2 Q16236 2/20 0.44
NR1H3 Q13133 1/20 0.43
PTPN1 P18031 1/20 0.42
MAPT P10636 2/20 0.40
AHR P35869 1/20 0.40
TP53 P04637 1/20 0.40
PTGS1 P23219 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NQO2 P16083 1/20 0.39
FBP1 P09467 1/20 0.39

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
SCHEMBL16400448 1.00 MAOB (0.46) MAOBCYP1A1CYP1B1NFE2L2NR1H3
SCHEMBL18002337 0.90 AHR (0.50) CYP1A1CYP1B1NFE2L2NR1H3AHR
SCHEMBL6853258 0.80 POLB (0.42) MAPTKDM4EPOLBL3MBTL1
SCHEMBL28780257 0.79 NFE2L2 (0.45) MAOBCYP1A1CYP1B1NFE2L2NR1H3
SCHEMBL28500463 0.79 ALDH1A1 (0.47) MAOBCYP1A1CYP1B1NFE2L2NR1H3
SCHEMBL7005405 0.78 NFE2L2 (0.53) MAOBNFE2L2
SCHEMBL31622847 0.78 NFE2L2 (0.49) MAOBNFE2L2MAPTPOLBL3MBTL1
SCHEMBL16400111 0.78 NFE2L2 (0.49) MAOBNFE2L2MAPTPOLBL3MBTL1
SCHEMBL16400108 0.78 NFE2L2 (0.49) MAOBNFE2L2MAPTPOLBL3MBTL1
SCHEMBL28875128 0.76 MAOB (0.39) MAOBCYP1A1CYP1B1NFE2L2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
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
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 CN disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO 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 3664/4885CYP1A1 2166/4885CYP1B1 1887/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAOB 3664/4885CYP1A1 2166/4885CYP1B1 1887/4885

“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.