SCHEMBL3497193

SCHEMBL3497193

O=C(OC(=O)C(F)(F)F)c1cc(Br)cc(-c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
ABL1 P00519 2/20 0.44
OPRM1 P35372 1/20 0.44
KCNH2 Q12809 1/20 0.44
KMO O15229 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP1A2 P05177 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
MKNK1 Q9BUB5 3/20 0.40
MKNK2 Q9HBH9 3/20 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
Trifluoroacetic Acid SCHEMBL3497192 0.81 KMO (0.57) KDRABL1OPRM1KCNH2KMO
SCHEMBL5229005 0.81 CYP19A1 (0.60) ABL1KMOCYP11B1CYP11B2ALDH1A1
SCHEMBL3496923 0.80 PDK2 (0.48) KDRABL1OPRM1KCNH2KMO
SCHEMBL5226019 0.77 KMO (0.67) KDRABL1KMOCYP11B1CYP11B2
SCHEMBL4718567 0.77 ALDH1A1 (0.57) L3MBTL1ALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL13244061 0.72 CYP2A6 (0.65) KMOL3MBTL1CYP11B1CYP11B2ALDH1A1
SCHEMBL9656595 0.72 CYP2A6 (0.65) KMOL3MBTL1CYP11B1CYP11B2ALDH1A1
SCHEMBL21312051 0.72 CYP2A6 (0.65) KMOL3MBTL1CYP11B1CYP11B2ALDH1A1
SCHEMBL30687563 0.72 CYP2A6 (0.65) KMOL3MBTL1CYP11B1CYP11B2ALDH1A1
SCHEMBL30398823 0.72 CYP2A6 (0.65) KMOL3MBTL1CYP11B1CYP11B2ALDH1A1

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-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC KDR 2148/4885ABL1 4187/4885OPRM1 4236/4885

“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.