SCHEMBL17865693

SCHEMBL17865693

CCOC(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KDM4E B2RXH2 2/20 0.45
THRB P10828 2/20 0.45
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.40
GPR174 Q9BXC1 1/20 0.40
HTT P42858 1/20 0.39
ALOX15 P16050 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL17865644 0.88 KDM4E (0.48) MAPTKDM4ETHRBALDH1A1NPSR1
SCHEMBL17865649 0.84 MAPT (0.47) MAPTKDM4ETHRBALDH1A1NPSR1
SCHEMBL17911187 0.78 MAPT (0.42) MAPTKDM4ETHRBTP53POLB
SCHEMBL15321069 0.74 MAPT (0.58) MAPTKDM4ETHRBPOLBALDH1A1
SCHEMBL14800306 0.73 KMT2A (0.51) MAPTKDM4ETHRBTP53POLB
SCHEMBL3353065 0.72 MAPT (0.51) MAPTKDM4ETHRBPOLBALDH1A1
SCHEMBL17535720 0.71 HPGD (0.51) MAPTKDM4ETHRBTP53POLB
SCHEMBL8040438 0.70 NAMPT (0.54) MAPTKDM4ETHRBTP53POLB
SCHEMBL4757884 0.70 ALDH1A1 (0.54) MAPTKDM4ETHRBTP53POLB
SCHEMBL3718093 0.70 TP53 (0.51) MAPTKDM4ETHRBTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US disclosed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP disclosed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US disclosed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP disclosed
CN-105636956-A Indole compound as inhibitor of necrosis LG LIFE SCIENCES LTD 2016-06-01 CN 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 (2 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-10927097-B2 Indole compound as inhibitor of necrosis IDO1, IDO2, TNF MAPT 2077/4885KDM4E 3948/4885THRB 1453/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF MAPT 1893/4885KDM4E 3410/4885THRB 2138/4885

“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.