SCHEMBL25601599

SCHEMBL25601599

Cc1nc(C(F)(F)F)ccc1OC=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.39
TGFBR1 P36897 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CXCR4 P61073 1/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
PDE3A Q14432 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL20869211 0.78 PDE4B (0.48) PDE4BTGFBR1LMNAKDM4ECXCR4
SCHEMBL5699906 0.76 MEN1 (0.41) TGFBR1KDM4ENPC1RAB9A
SCHEMBL30971512 0.74 TRPV1 (0.40) PDE4BLMNAKDM4ECXCR4GAA
SCHEMBL3772488 0.74 TRPV1 (0.40) PDE4BLMNAKDM4ECXCR4GAA
Formamide SCHEMBL22289820 0.71 NOS3 (0.41) LMNAKDM4ECXCR4GAANPC1
SCHEMBL25211504 0.70 TGFBR1 (0.38) PDE4BTGFBR1LMNAKDM4ECXCR4
SCHEMBL30469190 0.70 TGFBR1 (0.38) PDE4BTGFBR1LMNAKDM4ECXCR4
SCHEMBL20869165 0.69 PDE4B (0.53) PDE4BLMNAPDE4APDE4CPDE4D
SCHEMBL5335078 0.69 GAA (0.38) LMNAKDM4ECXCR4GAANPC1
SCHEMBL12958179 0.69 MCHR1 (0.40) PDE4BTGFBR1LMNAKDM4ECXCR4

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-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-06-01 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-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 PDE4B 1486/4885TGFBR1 4690/4885LMNA 1423/4885

“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.