SCHEMBL2172467

SCHEMBL2172467

CCc1cc(OC)n2nc(C(F)(F)F)c(C(=O)O)c2c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4B Q07343 4/20 0.35
PLAT P00750 4/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 2/20 0.31
NPC1 O15118 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31

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
SCHEMBL2172464 0.69 PLAT (0.43) KDM4EALDH1A1L3MBTL1PDE4BPLAT
SCHEMBL3219443 0.66 PLAT (0.43) KDM4EALDH1A1L3MBTL1PDE4BPLAT
SCHEMBL10556645 0.61 MAPT (0.41) ALDH1A1L3MBTL1POLBHPGDSMN1; SMN2
SCHEMBL2171031 0.61 PDE4B (0.57) KDM4EALDH1A1PDE4BPLATGAA
SCHEMBL3218428 0.61 PDE4B (0.32) KDM4EL3MBTL1PDE4BMEN1MAPT
SCHEMBL9116719 0.60 MEN1 (0.32) KDM4EALDH1A1PLATGAAPOLB
SCHEMBL22361040 0.59 CYP1A2 (0.38) ALDH1A1PDE4BPLATPOLBSMN1; SMN2
SCHEMBL420868 0.59 CETP (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2171373 0.59 KDM4E (0.39) KDM4EALDH1A1L3MBTL1PDE4BNPSR1
SCHEMBL22653501 0.59 HPGD (0.41) KDM4EL3MBTL1POLBHPGDSMN1; SMN2

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 KDM4E 1522/4885ALDH1A1 190/4885L3MBTL1 4770/4885

“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.