SCHEMBL5533142

SCHEMBL5533142

Brc1ccc(Cn2ccnc2-c2nccn2Cc2ccc(Br)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
CYP19A1 P11511 1/20 0.49
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.44
BRD4 O60885 2/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90B1 P14625 1/20 0.41
LIMK2 P53671 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL17102309 0.85 LMNA (0.64) CYP11B1CYP11B2CYP19A1L3MBTL1LMNA
SCHEMBL26129994 0.83 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1L3MBTL1LMNA
SCHEMBL23120688 0.79 HSP90AA1 (0.48) CYP11B1CYP11B2CYP19A1L3MBTL1LMNA
SCHEMBL31434521 0.78 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1L3MBTL1LMNA
SCHEMBL27463321 0.78 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1L3MBTL1LMNA
SCHEMBL23831139 0.78 KCNH2 (0.48) CYP11B1CYP11B2CYP19A1L3MBTL1LMNA
SCHEMBL26128312 0.78 KCNH2 (0.48) CYP11B1CYP11B2CYP19A1LMNACYP1A2
SCHEMBL5532942 0.77 LMNA (0.36) CYP11B1CYP11B2CYP19A1HSD17B10L3MBTL1
SCHEMBL20762560 0.75 BRD4 (0.48) CYP11B1CYP11B2CYP19A1HSD17B10L3MBTL1
SCHEMBL30195058 0.75 HSP90AA1 (0.41) CYP11B1CYP11B2CYP19A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120261650-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-10-18 US disclosed
US-20120261650-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-10-18 US disclosed
US-20120261650-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-10-18 US disclosed
WO-2012051666-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2012-04-26 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-20120261650-A1 ORGANIC ELECTROLUMINESCENT DEVICE EBPL, PAICS, CCNL2 CYP11B1 2622/4885CYP11B2 2014/4885CYP19A1 3194/4885

“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.