SCHEMBL12129656

SCHEMBL12129656

Brc1cccc(-c2cc(-c3cccc(Br)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.64
CYP11B2 P19099 4/20 0.64
CYP2A6 P11509 3/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP19A1 P11511 4/20 0.56
MEN1 O00255 3/20 0.56
PSIP1 O75475 1/20 0.56
AXL P30530 1/20 0.56
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
CYP17A1 P05093 1/20 0.50
KMO O15229 1/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
EPHX2 P34913 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL2750529 1.00 CYP11B1 (0.64) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL5527671 1.00 CYP11B1 (0.64) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL22418959 0.98 CYP11B1 (0.66) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL1065165 0.96 CYP11B1 (0.68) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL5527756 0.95 CYP11B1 (0.58) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL18682051 0.94 CYP11B1 (0.61) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL17177981 0.94 CYP11B1 (0.61) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL12129644 0.92 CYP11B1 (0.59) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL21312051 0.90 CYP2A6 (0.65) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL13244061 0.90 CYP2A6 (0.65) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291354-B1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS BOE TECHNOLOGY GROUP CO LTD (CN) 2016-11-09 EP disclosed
EP-2307368-B1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS BOE TECHNOLOGY GROUP CO LTD (CN) 2016-11-09 EP disclosed
US-8062768-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-11-22 US disclosed
US-8062768-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-11-22 US disclosed
US-8039125-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-10-18 US disclosed
US-8039125-B2 Compound comprising phenyl pyridine units GENERAL ELECTRIC COMPANY (US) 2011-10-18 US disclosed
WO-2009142870-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 WO disclosed
WO-2009142867-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 WO disclosed
US-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 US disclosed
US-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS GENERAL ELECTRIC COMPANY (US) 2009-11-26 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-20090289547-A1 COMPOUND COMPRISING PHENYL PYRIDINE UNITS C1S, C3AR1, CRY1 CYP11B1 11/4885CYP11B2 10/4885CYP2A6 121/4885

“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.