SCHEMBL1605477

SCHEMBL1605477

COCCS(=O)(=O)Nc1cncc(-c2cc3ccccc3n2C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNB3 Q05901 1/20 0.46
KMT2A Q03164 1/20 0.42
APP P05067 3/20 0.41
PTGES2 Q9H7Z7 1/20 0.39
PTGER4 P35408 1/20 0.37
CYP17A1 P05093 1/20 0.36
ALPL P05186 1/20 0.35
AHR P35869 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BRPF1 P55201 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35

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
SCHEMBL1607150 0.89 CYP11B2 (0.43) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605287 0.87 CYP11B2 (0.48) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606665 0.87 CYP11B2 (0.59) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606596 0.82 KMT2A (0.50) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7947398 0.79 KMT2A (0.47) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606261 0.78 CHRNB1 (0.51) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605395 0.78 CYP11B2 (0.45) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL14603921 0.76 KMT2A (0.46) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605531 0.75 CYP11B2 (0.69) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606086 0.73 CYP11B2 (0.55) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (4 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CHRNB1 2629/4885CHRNB2 3544/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CHRNB1 2629/4885CHRNB2 3544/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CHRNB1 3239/4885CHRNB2 3915/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CHRNB1 3239/4885CHRNB2 3915/4885

“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.