SCHEMBL2171202

SCHEMBL2171202

COc1ccc(Br)c2ccc(=O)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.47
CYP19A1 P11511 3/20 0.46
KDM4E B2RXH2 5/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 3/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MCL1 Q07820 2/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 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
SCHEMBL11401085 0.85 NQO2 (0.53) NQO2CYP19A1KDM4EHPGDMEN1
SCHEMBL14438072 0.81 NQO2 (0.61) NQO2CYP19A1KDM4EHPGDMEN1
SCHEMBL2796720 0.79 NQO2 (0.47) NQO2CYP19A1KDM4EHPGDMEN1
SCHEMBL9653621 0.79 NQO2 (0.47) NQO2CYP19A1KDM4EHPGDMEN1
SCHEMBL9292931 0.77 NQO2 (0.49) NQO2CYP19A1KDM4EHPGDMEN1
SCHEMBL12559630 0.77 CA12 (0.43) NQO2CYP19A1KDM4EHPGDMAPT
SCHEMBL30862094 0.76 KDM4E (0.45) NQO2CYP19A1KDM4EHPGDMEN1
SCHEMBL29195984 0.76 KDM4E (0.53) NQO2CYP19A1KDM4EHPGDMEN1
SCHEMBL24689335 0.74 ADORA3 (0.43) MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL12559831 0.74 NQO2 (0.55) NQO2CYP19A1KDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B NQO2 335/4885CYP19A1 180/4885KDM4E 1522/4885

“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.