SCHEMBL617262

SCHEMBL617262

N#Cc1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.49
▸ CHRNA10 Q9GZZ6 1/20 0.49
▸ CHRNA9 Q9UGM1 1/20 0.49
▸ CHEK1 O14757 1/20 0.46
▸ ALK Q9UM73 1/20 0.45
▸ POLB P06746 2/20 0.42
▸ PANK3 Q9H999 1/20 0.41
▸ CSF1R P07333 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL2384959 0.82 KDM4E (0.80) KDM4ETP53ALDH1A1CHRNA10CHRNA9
SCHEMBL18945543 0.81 KDM4E (0.54) FAAHKDM4ETP53ALDH1A1ALK
Water SCHEMBL10512053 0.79 KDM4E (0.56) KDM4ETP53ALDH1A1
SCHEMBL695218 0.79 KDM4E (0.63) FAAHKDM4ETP53CHRNA10CHRNA9
SCHEMBL154178 0.78 KDM4E (0.68) KDM4ETP53ALDH1A1CHRNA10CHRNA9
SCHEMBL7402909 0.78 KDM4E (0.68) KDM4ETP53ALDH1A1CHRNA10CHRNA9
SCHEMBL151261 0.77 CHEK1 (0.68) KDM4ETP53ALDH1A1CHRNA10CHRNA9
SCHEMBL10510808 0.77 KDM4E (0.58) KDM4ETP53ALDH1A1
SCHEMBL149656 0.76 KDM4E (0.66) KDM4ETP53ALDH1A1CHRNA10CHRNA9
SCHEMBL139427 0.76 KDM4E (0.66) KDM4ETP53ALDH1A1CHRNA10CHRNA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 — — EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 — — EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 — — US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 — — US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 — — US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 — — US disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 — — WO 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 FAAH 190/4885KDM4E 3377/4885TP53 4869/4885

“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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