SCHEMBL6014774

SCHEMBL6014774

O=C(O)c1c(CCc2[nH]c3ccccc3c2C(=O)O)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
TDP1 Q9NUW8 1/20 0.61
OXER1 Q8TDS5 1/20 0.55
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
ALDH1A1 P00352 4/20 0.49
FOLH1 Q04609 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
APP P05067 1/20 0.47
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL7551694 0.90 OXER1 (0.60) KDM4ETDP1OXER1MTNR1AMTNR1B
SCHEMBL8782766 0.89 OXER1 (0.66) KDM4ETDP1OXER1MTNR1AMTNR1B
SCHEMBL7070059 0.87 OXER1 (0.72) KDM4ETDP1OXER1MTNR1AMTNR1B
SCHEMBL30479097 0.87 KDM4E (0.63) KDM4ETDP1OXER1MTNR1AMTNR1B
SCHEMBL6862346 0.87 KDM4E (0.63) KDM4ETDP1OXER1MTNR1AMTNR1B
SCHEMBL9155379 0.86 HTR6 (0.54) KDM4ETDP1OXER1MTNR1AMTNR1B
SCHEMBL30602834 0.86 KDM4E (0.57) KDM4ETDP1OXER1ALDH1A1KMT2A
SCHEMBL6964299 0.86 KDM4E (0.57) KDM4ETDP1OXER1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9354400 0.85 HTR6 (0.52) KDM4ETDP1OXER1ALDH1A1FOLH1
SCHEMBL5510275 0.84 KDM4E (0.56) KDM4ETDP1OXER1MTNR1AMTNR1B

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
CN-100352805-C Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them LEUVEN K U RES & DEV (BE) 2007-12-05 CN disclosed
US-7081472-B2 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K. U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2006-07-25 US disclosed
CN-1486299-A Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them ³�������̴�ѧ�о������� 2004-03-31 CN disclosed
US-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-03-18 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-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them IDO1, IDO2, CNR1 KDM4E 3436/4885TDP1 2398/4885OXER1 2542/4885

“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.