SCHEMBL26100040

SCHEMBL26100040

CC(N)c1cc(OCC(F)(F)F)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.48
▸ CYP17A1 P05093 3/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ GPR3 P46089 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ USP2 O75604 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ G6PD P11413 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL16089009 0.88 CYP2C9 (0.48) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL28408064 0.83 NQO1 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL26099839 0.83 CYP2C9 (0.47) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL26099525 0.82 ADRA2A (0.50) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL4550825 0.80 HTT (0.49) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2714321 0.79 LMNA (0.47) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL28567509 0.79 PDE2A (0.49) CYP2C9CYP1A2GPR3LMNAUSP2
SCHEMBL20472376 0.79 PDE2A (0.49) CYP2C9CYP1A2GPR3LMNAUSP2
SCHEMBL21199382 0.79 PDE2A (0.49) CYP2C9CYP1A2GPR3LMNAUSP2
SCHEMBL30468376 0.79 PDE2A (0.49) CYP2C9CYP1A2GPR3LMNAUSP2

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-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 — — 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-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 CYP2C9 661/4885CYP17A1 883/4885CYP2C19 842/4885

“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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