SCHEMBL17157564

SCHEMBL17157564

O=C(/C=C/c1ccc(F)c(Br)c1)C(F)(F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.52
▸ MAOA P21397 4/20 0.52
▸ VCP P55072 1/20 0.48
▸ PRMT1 Q99873 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SNCA P37840 1/20 0.36

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
SCHEMBL17157566 1.00 MAOB (0.52) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL7629265 0.88 MAOB (0.57) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL7629273 0.88 MAOB (0.57) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL17157812 0.79 CYP1A2 (0.49) MAOBMAOATDP1HDAC3ADAM17
SCHEMBL17157814 0.79 CYP1A2 (0.49) MAOBMAOATDP1HDAC3ADAM17
SCHEMBL290718 0.79 AKR1C3 (0.62) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL290719 0.79 AKR1C3 (0.62) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL17157612 0.78 MAOB (0.59) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL17157614 0.78 MAOB (0.59) MAOBMAOAVCPPRMT1AKR1C3
SCHEMBL8149848 0.78 MAOB (0.57) MAOBMAOAVCPPRMT1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376420-B2 4,5-dihydro-1H-pyrazole derivative or salts thereof, and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-06-28 — — US disclosed
US-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-10-15 — — 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-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME NR1H3, NR1H2, NR1H4 MAOB 4828/4885MAOA 4862/4885VCP 2619/4885

“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.

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