SCHEMBL768748

SCHEMBL768748

CCS(=O)(=O)NCc1cncc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.46
CYP11B1 P15538 3/20 0.41
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
EGFR P00533 2/20 0.37

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
SCHEMBL30417046 1.00 CYP11B2 (0.46) CYP11B2CYP11B1CYP19A1KDM4ESMN1; SMN2
SCHEMBL1606249 0.85 CYP11B2 (0.43) CYP11B2CYP19A1KDM4ESMN1; SMN2MAPT
SCHEMBL14785068 0.84 SMN1; SMN2 (0.46) CYP11B2KDM4ESMN1; SMN2MAPTHTT
SCHEMBL14784924 0.81 MEN1 (0.48) CYP11B2KDM4ESMN1; SMN2MAPTHTT
SCHEMBL9289504 0.81 CYP11B2 (0.43) CYP11B2KDM4ESMN1; SMN2MAPTHTT
SCHEMBL748924 0.81 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2MAPTHTTMEN1
SCHEMBL1607471 0.79 SMN1; SMN2 (0.35) CYP11B2KDM4ESMN1; SMN2MAPTHTT
SCHEMBL14786465 0.79 SMN1; SMN2 (0.35) CYP11B2KDM4ESMN1; SMN2MAPTHTT
SCHEMBL768816 0.78 CA2 (0.45) CYP19A1KDM4ESMN1; SMN2HTTMEN1
SCHEMBL14779720 0.75 SMN1; SMN2 (0.51) CYP11B2KDM4ESMN1; SMN2MAPTHTT

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843879-B Benzothiazole derivatives as DYRK1 inhibitors 药物治疗股份有限公司 2023-05-02 CN disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US disclosed
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-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
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN 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-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 (2 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 13/4885CYP11B1 14/4885CYP19A1 68/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885CYP19A1 68/4885

“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.