SCHEMBL6306994

SCHEMBL6306994

O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CRHBP P24387 6/20 0.46
▸ CRHR2 Q13324 6/20 0.46
▸ MCOLN3 Q8TDD5 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ ACHE P22303 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MCOLN2 Q8IZK6 1/20 0.41
▸ MCOLN1 Q9GZU1 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.40

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
SCHEMBL6306997 1.00 KMT2A (0.47) KMT2AMEN1CRHBPCRHR2MCOLN3
SCHEMBL6306130 0.87 CRHBP (0.54) KMT2ACRHBPCRHR2MCOLN3ALDH1A1
SCHEMBL6306126 0.87 CRHBP (0.54) KMT2ACRHBPCRHR2MCOLN3ALDH1A1
SCHEMBL6311363 0.86 CRHBP (0.47) KMT2ACRHBPCRHR2MCOLN3ALDH1A1
SCHEMBL6311367 0.86 CRHBP (0.47) KMT2ACRHBPCRHR2MCOLN3ALDH1A1
SCHEMBL6311369 0.85 CRHBP (0.41) KMT2ACRHBPCRHR2MCOLN3MAPT
SCHEMBL6311366 0.85 CRHBP (0.41) KMT2ACRHBPCRHR2MCOLN3MAPT
SCHEMBL6311235 0.84 CRHBP (0.49) KMT2ACRHBPCRHR2MCOLN3MCOLN2
SCHEMBL6311240 0.84 CRHBP (0.49) KMT2ACRHBPCRHR2MCOLN3MCOLN2
SCHEMBL6310018 0.84 CRHBP (0.55) KMT2ACRHBPCRHR2MCOLN3ALDH1A1

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-6977265-B2 Piperidine CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2005-12-20 — — US disclosed
US-20030229121-A1 Piperidine CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2003-12-11 — — 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-20030229121-A1 Piperidine CCR-3 receptor antagonists CCR1, CCR3, CCRL2 KMT2A 3093/4885MEN1 4556/4885CRHBP 1470/4885

“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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