SCHEMBL6061082

SCHEMBL6061082

COc1ccc(-c2ccc(C#N)cn2)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM1A O60341 1/20 0.41
CHEK1 O14757 1/20 0.41
ERN1 O75460 6/20 0.41
KIT P10721 1/20 0.41
LMNA P02545 1/20 0.40
HPGDS O60760 1/20 0.39
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
GRM5 P41594 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4600422 0.82 ERN1 (0.50) KDM4EALDH1A1ERN1TSHRTDP1
SCHEMBL15420520 0.80 ALDH1A1 (0.47) HPGDKDM4EALDH1A1HTTL3MBTL1
SCHEMBL29950818 0.79 ALDH1A1 (0.50) HPGDKDM4EALDH1A1KDM1AERN1
SCHEMBL5221782 0.79 ALDH1A1 (0.50) HPGDKDM4EALDH1A1KDM1AERN1
SCHEMBL5621128 0.76 ACLY (0.50) KDM4EALDH1A1ERN1KITLMNA
SCHEMBL4600063 0.75 AR (0.43) KDM4EALDH1A1KDM1AERN1KIT
SCHEMBL4599724 0.74 ERN1 (0.48) KDM4EALDH1A1KDM1AERN1TSHR
SCHEMBL4508073 0.74 ERN1 (0.69) KDM4EALDH1A1HTTL3MBTL1ERN1
SCHEMBL7284716 0.73 KDM4E (0.65) HPGDKDM4EALDH1A1HTTL3MBTL1
SCHEMBL6061184 0.73 KDM4E (0.50) HPGDKDM4EALDH1A1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682518-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-07-26 EP disclosed
US-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 US disclosed
WO-2005040132-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-05-06 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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents DDT, DDC, DARS1 HPGD 2554/4885KDM4E 1977/4885ALDH1A1 3350/4885

“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.