SCHEMBL5680983

SCHEMBL5680983

O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ GPR6 P46095 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ SCN5A Q14524 1/20 0.47
▸ SCN2A Q99250 1/20 0.47
▸ SCN10A Q9Y5Y9 1/20 0.47
▸ LMNA P02545 1/20 0.44
▸ HRH3 Q9Y5N1 5/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MGLL Q99685 1/20 0.43

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
SCHEMBL2855407 0.91 GPR6 (0.51) MEN1KMT2AGPR6LMNAL3MBTL1
SCHEMBL2852214 0.84 GPR6 (0.54) MEN1KMT2AGPR6KDM4EALDH1A1
SCHEMBL2855609 0.83 GPR6 (0.53) MEN1KMT2AGPR6KDM4EALDH1A1
SCHEMBL4980325 0.81 HSP90AB1 (0.44) MEN1KMT2AGPR6LMNAHRH3
SCHEMBL2854088 0.81 GPR6 (0.57) MEN1KMT2AGPR6KDM4EALDH1A1
SCHEMBL2858054 0.79 GPR6 (0.53) MEN1KMT2AGPR6KDM4EALDH1A1
SCHEMBL5676952 0.78 TP53 (0.62) MEN1KMT2AGPR6KDM4EALDH1A1
SCHEMBL2856084 0.78 GPR6 (0.45) GPR6KDM4ELMNAPOLBMAPT
Hydrochloric Acid SCHEMBL6404593 0.78 TP53 (0.61) MEN1KMT2AGPR6KDM4EALDH1A1
SCHEMBL2857536 0.78 TP53 (0.59) MEN1KMT2AGPR6KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620405-A2 PYRAZOLE-AMIDES AND SULFONAMIDES AS SODIUM CHANNEL MODULATORS Abbott Laboratories (US) 2006-02-01 — — EP claimed
US-20050020564-A1 Pyrazole-amides and sulfonamides as sodium channel modulators ABBOTT LABORATORIES 2005-01-27 — — US claimed
WO-2004099154-A2 PYRAZOLE-AMIDES AND SULFONAMIDES AS SODIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2004-11-18 — — WO claimed
US-20040220170-A1 Pyrazole-amides and sulfonamides as sodium channel modulators ABBOTT LABORATORIES 2004-11-04 — — US claimed
US-20050020564-A1 Pyrazole-amides and sulfonamides as sodium channel modulators ABBOTT LABORATORIES 2005-01-27 — — US disclosed
US-20040220170-A1 Pyrazole-amides and sulfonamides as sodium channel modulators ABBOTT LABORATORIES 2004-11-04 — — 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 (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-20050020564-A1 Pyrazole-amides and sulfonamides as sodium channel modulators SCN3A, KCNN3, TRPV3 MEN1 4304/4885KMT2A 2788/4885GPR6 1393/4885
US-20040220170-A1 Pyrazole-amides and sulfonamides as sodium channel modulators SCN3A, KCNN3, TRPV3 MEN1 4304/4885KMT2A 2788/4885GPR6 1393/4885

“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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