SCHEMBL17865649

SCHEMBL17865649

CC(C)(C)OC(=O)N1CCC(c2cc3cc(CO)cc([N+](=O)[O-])c3[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
THRB P10828 1/20 0.47
KCNH2 Q12809 1/20 0.41
HTT P42858 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
FBP1 P09467 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
XDH P47989 1/20 0.36
PRMT5 O14744 2/20 0.36
IGF1R P08069 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL17911187 0.86 MAPT (0.42) MAPTKDM4ETHRBKCNH2HTT
SCHEMBL17865644 0.86 KDM4E (0.48) MAPTKDM4ETHRBKCNH2HTT
SCHEMBL17865693 0.84 MAPT (0.45) MAPTKDM4ETHRBKCNH2HTT
SCHEMBL31490571 0.72 THRB (0.54) MAPTKDM4ETHRBGPR119HPGD
SCHEMBL26671863 0.70 GPR119 (0.46) MAPTHTTGPR119ALDH1A1LMNA
SCHEMBL17865678 0.70 HRH4 (0.46) MAPTKDM4EKCNH2HTTALDH1A1
SCHEMBL3141500 0.70 KDM4E (0.58) MAPTKDM4ETHRBHTTGPR119
SCHEMBL19268020 0.69 GPR119 (0.51) MAPTKDM4ETHRBGPR119ALDH1A1
SCHEMBL5216291 0.68 SMN1; SMN2 (0.45) MAPTKDM4ETHRBHTTGPR119
SCHEMBL1463152 0.68 MAPT (0.45) MAPTKDM4ETHRBHTTGPR119

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
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

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.