SCHEMBL25848994

SCHEMBL25848994

Cc1cc(C(F)(F)F)ncc1CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.44
LOX P28300 1/20 0.43
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CA2 P00918 1/20 0.37
CHKA P35790 1/20 0.37
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
PPARD Q03181 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
POLQ O75417 1/20 0.30

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
SCHEMBL19146285 0.83 NOS3 (0.53) LOXL2LOXNOS3NOS1NOS2
SCHEMBL23269408 0.81 KDM4E (0.38) LOXL2NOS3NOS1NOS2CA2
SCHEMBL4550311 0.76 L3MBTL1 (0.39) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL14183073 0.76 NOS3 (0.44) LOXL2LOXNOS3NOS1NOS2
Lithium Ion SCHEMBL31648574 0.75 AGBL2 (0.41) NOS3NOS1NOS2TRPV4PPARD
Hydrochloric Acid SCHEMBL2716522 0.75 L3MBTL1 (0.38) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL30374789 0.75 UHRF1 (0.54) LOXL2LOXNOS3NOS1NOS2
SCHEMBL1506481 0.75 UHRF1 (0.54) LOXL2LOXNOS3NOS1NOS2
SCHEMBL29707486 0.74 UHRF1 (0.52) NOS3NOS1NOS2LMNAKDM4E
SCHEMBL317221 0.74 UHRF1 (0.52) NOS3NOS1NOS2LMNAKDM4E

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-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 US disclosed
US-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-07-13 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-20230219921-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 LOXL2 3485/4885LOX 3282/4885NOS3 3736/4885

“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.