SCHEMBL2084877

SCHEMBL2084877

COC(=O)c1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
ALDH1A1 P00352 4/20 0.64
HPGD P15428 2/20 0.63
MAPT P10636 10/20 0.60
KDM4E B2RXH2 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GPR84 Q9NQS5 1/20 0.58
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 1/20 0.55
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
CDK2 P24941 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL12778224 0.90 KMT2A (0.67) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL28869820 0.89 GPR84 (0.61) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL2086744 0.88 KMT2A (0.64) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21082948 0.87 KMT2A (0.72) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL2086624 0.87 KMT2A (0.63) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL31447965 0.82 MAPT (0.70) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL31448138 0.82 GOT1 (0.72) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL27335113 0.82 GOT1 (0.72) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL27335415 0.81 MAPT (0.88) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL9203635 0.79 MAPT (0.64) MEN1KMT2AALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902190-B2 Indol derivatives, the method for preparing thereof and composition for the prevention and treatment of metabolic disorder containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2011-03-08 US claimed
US-20100075962-A1 INDOL DERIVATIVES, THE METHOD FOR PREPARING THEREOF AND COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-03-25 US claimed
WO-2008039007-A1 INDOL DERIVATIVES, THE METHOD FOR PREPARING THEREOF AND COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-04-03 WO claimed
US-7902190-B2 Indol derivatives, the method for preparing thereof and composition for the prevention and treatment of metabolic disorder containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2011-03-08 US disclosed
US-20100075962-A1 INDOL DERIVATIVES, THE METHOD FOR PREPARING THEREOF AND COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-03-25 US disclosed
WO-2008039007-A1 INDOL DERIVATIVES, THE METHOD FOR PREPARING THEREOF AND COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-04-03 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-20100075962-A1 INDOL DERIVATIVES, THE METHOD FOR PREPARING THEREOF AND COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING THE SAME AS AN ACTIVE INGREDIENT DGAT2, DGAT1, SOAT2 MEN1 2477/4885KMT2A 865/4885ALDH1A1 908/4885

“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.