SCHEMBL2183153

SCHEMBL2183153

COC(=O)c1c(N)ncn1Cc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP11B2 P19099 2/20 0.47
CYP11B1 P15538 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
GLA P06280 2/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP13 P45452 2/20 0.45
HSP90B1 P14625 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.44
NR3C1 P04150 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL843514 0.89 TUBB4A (0.49) L3MBTL1MEN1KMT2AMAPK1KDM4E
SCHEMBL7987441 0.88 MEN1 (0.49) L3MBTL1MEN1KMT2ACYP11B2CYP11B1
SCHEMBL13206624 0.88 MEN1 (0.49) L3MBTL1MEN1KMT2ACYP11B2CYP11B1
SCHEMBL20591093 0.85 CYP11B2 (0.48) L3MBTL1MEN1KMT2ACYP11B2CYP11B1
SCHEMBL20187453 0.84 CYP11B2 (0.47) L3MBTL1MEN1KMT2AMAPK1CYP11B2
SCHEMBL20187620 0.82 CYP11B2 (0.46) L3MBTL1MEN1KMT2AMAPK1CYP11B2
SCHEMBL7985129 0.81 YTHDC1 (0.50) CYP11B2GAAMMP13
SCHEMBL28150125 0.81 PKM (0.57) MEN1KMT2ACYP11B2CYP11B1KDM4E
SCHEMBL28017610 0.79 MEN1 (0.56) L3MBTL1MEN1KMT2ACYP11B2CYP11B1
SCHEMBL14611252 0.79 MEN1 (0.48) L3MBTL1MEN1KMT2AMAPK1CYP11B2

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
US-8765757-B2 3-heterocyclic substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
EP-2222660-B1 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
US-20110165118-A1 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2011-07-07 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-20110165118-A1 3-HETEROCYCLIC SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, HTR3C L3MBTL1 843/4885MEN1 1468/4885KMT2A 1156/4885

“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.