SCHEMBL26021776

SCHEMBL26021776

CC(F)(F)CN1C(=O)Cc2cc(C#N)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.37
BACE1 P56817 6/20 0.36
BRD4 O60885 1/20 0.36
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
HTR7 P34969 1/20 0.34
PNMT P11086 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
GPER1 Q99527 1/20 0.33

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
SCHEMBL26024965 0.89 NR1I2 (0.36) CASP3BACE1BRD4DRD2DRD3
SCHEMBL26750458 0.81 PDE5A (0.44) BRD4ALDH1A1GAA
SCHEMBL26621463 0.80 ATAD2 (0.50) BRD4DRD2DRD3ALDH1A1GAA
SCHEMBL27071712 0.80 BRD4 (0.38) BRD4DRD2DRD3ALDH1A1GAA
SCHEMBL26021777 0.80 CRHR1 (0.44) BRD4DRD2ALDH1A1GAA
SCHEMBL26021802 0.80 BMPR1B (0.46) CASP3BACE1BRD4DRD2DRD3
SCHEMBL31419462 0.80 ATAD2 (0.50) BRD4DRD2DRD3ALDH1A1GAA
SCHEMBL17979389 0.78 ATAD2 (0.43) CASP3DRD2DRD3PNMT
SCHEMBL26021793 0.77 BMPR1B (0.45) CASP3BRD4DRD2DRD3HTR7
SCHEMBL25899787 0.76 BMPR1B (0.48) CASP3BACE1BRD4DRD2DRD3

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-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2023-08-24 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-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE APOL1, APOB, LDLR CASP3 2129/4885BACE1 35/4885BRD4 4405/4885

“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.