SCHEMBL26539476

SCHEMBL26539476

C[C@H](Oc1ccc(-c2ccc3nnc(C(C)(F)F)n3n2)cn1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.57
SCN5A Q14524 1/20 0.43
MET P08581 10/20 0.38
NQO2 P16083 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TNF P01375 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
SCHEMBL26539480 1.00 CYP1A2 (0.57) CYP1A2SCN5AMETNQO2PDE3B
SCHEMBL26539034 1.00 CYP1A2 (0.57) CYP1A2SCN5AMETNQO2PDE3B
SCHEMBL20203897 0.92 CYP1A2 (0.68) CYP1A2SCN5AMETNQO2PDE3B
SCHEMBL20203740 0.92 CYP1A2 (0.68) CYP1A2SCN5AMETNQO2PDE3B
SCHEMBL23522703 0.92 CYP1A2 (0.68) CYP1A2SCN5AMETNQO2PDE3B
SCHEMBL26539661 0.83 CYP1A2 (0.43) CYP1A2SCN5AMETPDE3BPDE3A
SCHEMBL26539659 0.83 CYP1A2 (0.43) CYP1A2SCN5AMETPDE3BPDE3A
SCHEMBL26539658 0.83 CYP1A2 (0.43) CYP1A2SCN5AMETPDE3BPDE3A
SCHEMBL26539815 0.82 CYP1A2 (0.84) CYP1A2SCN5AMETALDH1A1
SCHEMBL26308610 0.82 CYP1A2 (0.38) CYP1A2ALDH1A1

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-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 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-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885MET 3724/4885

“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.