SCHEMBL21945126

SCHEMBL21945126

C/N=C/c1[nH]nnc1-c1cccc(OCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.46
▸ NR4A2 P43354 2/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAOA P21397 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ NR1H4 Q96RI1 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
SCHEMBL21945695 0.86 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL21945733 0.86 CYP1A2 (0.38) POLB
SCHEMBL21945135 0.86 ADORA2A (0.42) MAPTPOLBL3MBTL1
SCHEMBL26070403 0.85 GPR84 (0.35) MAOBNR1H2NR1H3MAOAL3MBTL1
SCHEMBL21944776 0.85 MRGPRX4 (0.48) MRGPRX4
SCHEMBL26070378 0.84 MRGPRX4 (0.43) L3MBTL1MRGPRX4
SCHEMBL21944766 0.81 PRMT6 (0.33) POLB
SCHEMBL18003993 0.80 NR4A2 (0.50) MAOBNR4A2NR1H2NR1H3MAPT
SCHEMBL26070417 0.80 CYP11B1 (0.34) NR1H3MAPTPOLBMRGPRX4NR1H4
SCHEMBL26070427 0.79 TACR1 (0.38) —

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2048/4885NR1H2 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.

Send feedback