SCHEMBL617426

SCHEMBL617426

O=C(O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 3/20 0.48
KLKB1 P03952 1/20 0.47
WNT3A P56704 1/20 0.46
TP53 P04637 1/20 0.46
ACE2 Q9BYF1 1/20 0.45
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL20868221 0.87 HTR2A (0.55) KDM4EALDH1A1KMT2AKLKB1WNT3A
SCHEMBL19553919 0.84 HDAC6 (0.54) KDM4EALDH1A1KMT2ATP53HTR2A
SCHEMBL4102507 0.83 KMT2A (0.66) KDM4EALDH1A1KMT2ATP53ACE2
SCHEMBL20857073 0.82 ALDH1A1 (0.50) KDM4EALDH1A1KMT2AKLKB1WNT3A
SCHEMBL2755879 0.81 ERCC1 (0.58) KDM4EALDH1A1KMT2AGAAMAPT
SCHEMBL24858705 0.81 KDM4E (0.51) KDM4EALDH1A1KMT2AKLKB1WNT3A
SCHEMBL21815373 0.80 ALDH1A1 (0.53) KDM4EALDH1A1KMT2ATP53HTR2A
SCHEMBL249130 0.80 TRPV1 (0.52) KDM4EALDH1A1KMT2ATP53ACE2
SCHEMBL10233022 0.80 ALDH1A1 (0.51) KDM4EALDH1A1KMT2AKLKB1WNT3A
SCHEMBL20868507 0.80 NCF1 (0.60) KDM4EALDH1A1KMT2AKLKB1WNT3A

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 3 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
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

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 KDM4E 3377/4885ALDH1A1 468/4885KMT2A 3409/4885

“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.