SCHEMBL4649271

SCHEMBL4649271

CCOc1ccc(Br)c(C(=O)Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PARP10 Q53GL7 1/20 0.42
FADS1 O60427 1/20 0.42
NQO1 P15559 1/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 1/20 0.41
XDH P47989 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4649128 0.85 TSHR (0.60) KDM4ETSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3988817 0.85 KDM4E (0.57) KDM4ETSHRHSD17B10PARP10FADS1
SCHEMBL4649362 0.82 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2CYP1A2HPGD
SCHEMBL31225318 0.82 KDM4E (0.50) KDM4ETSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4729840 0.81 KDM4E (0.57) KDM4ETSHRHSD17B10PARP10NQO1
SCHEMBL16955891 0.81 KDM4E (0.51) KDM4ETSHRHSD17B10PARP10NQO1
SCHEMBL227584 0.81 HPGD (0.52) KDM4EALDH1A1SMN1; SMN2CYP1A2HPGD
SCHEMBL3729905 0.81 KDM4E (0.49) KDM4ETSHRHSD17B10PARP10FADS1
SCHEMBL929121 0.80 KDM4E (0.51) KDM4ETSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL27923255 0.79 KDM4E (0.68) KDM4ETSHRHSD17B10PARP10NQO1

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
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US disclosed
EP-1701933-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 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-20070043113-A1 Novel compounds VCAM1, ICAM1, EPCAM KDM4E 2476/4885TSHR 4168/4885HSD17B10 3407/4885

“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.