SCHEMBL2172500

SCHEMBL2172500

COc1ccc(Br)c(C(N)=O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.54
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 2/20 0.45
APOBEC3A P31941 1/20 0.45
HTT P42858 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 3/20 0.41
AMY1A P0DUB6 2/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP3A4 P08684 4/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL2171213 0.85 ERN1 (0.54) ERN1KDM4ETDP1L3MBTL1HTT
SCHEMBL19878220 0.84 L3MBTL1 (0.47) ERN1KDM4ETDP1POLBCTDSP1
SCHEMBL2172844 0.84 ERN1 (0.53) ERN1KDM4ETDP1POLBL3MBTL1
SCHEMBL6572023 0.80 TSHR (0.56) ERN1KDM4ETDP1POLBCTDSP1
SCHEMBL14363464 0.76 ERN1 (0.56) ERN1KDM4ETDP1ALDH1A1AMY1A
SCHEMBL2588497 0.76 ERN1 (0.60) ERN1KDM4ETDP1ALDH1A1AMY1A
SCHEMBL6825647 0.74 CA12 (0.50) ERN1KDM4ETDP1POLBL3MBTL1
SCHEMBL1427664 0.74 CYP3A4 (0.51) ERN1TDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL890993 0.74 TDP1 (0.53) ERN1KDM4ETDP1POLBCTDSP1
SCHEMBL6953914 0.74 CA12 (0.55) ERN1KDM4ETDP1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
EP-2351748-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-08-03 EP disclosed
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
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US 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
WO-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B ERN1 3290/4885KDM4E 1522/4885TDP1 143/4885
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A ERN1 3466/4885KDM4E 1184/4885TDP1 124/4885

“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.