SCHEMBL26099839

SCHEMBL26099839

CC(N)c1cc(OCC(F)(F)F)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.47
▸ CYP17A1 P05093 3/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GPR3 P46089 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PAX8 Q06710 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MC4R P32245 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 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
SCHEMBL4550825 0.88 HTT (0.49) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2714321 0.87 LMNA (0.47) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL26100040 0.83 CYP2C9 (0.48) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL26099525 0.81 ADRA2A (0.50) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL16089009 0.80 CYP2C9 (0.48) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL10290354 0.77 CYP2C9 (0.45) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL23977881 0.76 MCL1 (0.54) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL14120796 0.74 PDE2A (0.54) ALDH1A1KMT2AMEN1HTTCYP1A2
SCHEMBL2691207 0.74 CYP2C9 (0.54) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT
SCHEMBL26099687 0.73 MAPT (0.41) CYP2C9CYP17A1CYP2C19ALDH1A1MAPT

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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