SCHEMBL10198322

SCHEMBL10198322

[2H]C([2H])([2H])C([2H])(Oc1ncc(O)cc1Cl)C([2H])([2H])[2H]

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
RORC P51449 1/20 0.34
SCN9A Q15858 4/20 0.32
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 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
SCHEMBL10198321 0.90 MAPK1 (0.38) MAPK1RORCSCN9ALMNACYP2C9
SCHEMBL364199 0.80 SCN9A (0.41) MAPK1RORCSCN9ALMNACYP2C9
SCHEMBL12391387 0.79 RORC (0.39) RORCTSHR
SCHEMBL12391388 0.77 P2RY12 (0.40) MAPK1RORCSCN9ARAB9A
SCHEMBL16175138 0.76 MAPK1 (0.40) MAPK1RORCSCN9ALMNACYP2C9
SCHEMBL16240182 0.75 SCN9A (0.45) MAPK1RORCSCN9ALMNACYP2C9
SCHEMBL365906 0.73 MAPK1 (0.47) MAPK1LMNACYP2C9TSHRAPEX1
SCHEMBL364997 0.73 S1PR1 (0.41) MAPK1RORCSCN9ALMNACYP2C9
SCHEMBL365394 0.73 S1PR1 (0.41) MAPK1RORCSCN9ALMNACYP2C9
SCHEMBL10198424 0.73 S1PR1 (0.41) MAPK1RORCSCN9ALMNACYP2C9

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-20130109708-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 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 (2 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-20130109708-A1 Chemical Compounds SCN1A, SCN1B, SCN7A MAPK1 222/4885RORC 3411/4885SCN9A 20/4885
US-20120010183-A1 Chemical Compounds SCN1A, SCN1B, SCN7A MAPK1 147/4885RORC 2944/4885SCN9A 25/4885

“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.