SCHEMBL619681

SCHEMBL619681

Cc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)c3cc4cccnc4nc3C)cc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.44
PPARA Q07869 1/20 0.43
SCN3A Q9NY46 1/20 0.41
TDP1 Q9NUW8 6/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
AGTR1 P30556 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MITF O75030 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
OPRK1 P41145 1/20 0.41
CKS1B P61024 1/20 0.41
SKP2 Q13309 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41

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
SCHEMBL620473 0.83 PTGDR2 (0.47) POLBHTTSMN1; SMN2HPGD
SCHEMBL10232885 0.82 SMN1; SMN2 (0.48) POLBHTTLMNASMN1; SMN2HPGD
SCHEMBL617401 0.82 HTT (0.46) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL620104 0.81 NR3C1 (0.54) POLBSCN3AHTTLMNASMN1; SMN2
SCHEMBL619617 0.79 HTT (0.45) POLBHTTLMNASMN1; SMN2HPGD
SCHEMBL619560 0.77 HTT (0.51) KMT2AALDH1A1KDM4EHTTLMNA
SCHEMBL617600 0.77 HTT (0.54) PPARAHTTSMN1; SMN2HPGD
SCHEMBL619738 0.77 HCRTR1 (0.52) KMT2AHTTS1PR1SMN1; SMN2
SCHEMBL619554 0.77 HTT (0.43) POLBPPARAHTTLMNASMN1; SMN2
SCHEMBL247884 0.76 LMNA (0.52) KMT2AMEN1TDP1HTTLMNA

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 11 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 claimed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US claimed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US claimed
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-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
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 KMT2A 3409/4885MEN1 3494/4885ALDH1A1 468/4885

“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.