SCHEMBL17865678

SCHEMBL17865678

CC(C)(C)OC(=O)N1CCC[C@H]1c1cc2cc(Cl)cc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
EPHX2 P34913 1/20 0.39
LMNA P02545 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.38
USP30 Q70CQ3 2/20 0.38
UCHL1 P09936 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.36
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL12263787 0.75 TSHR (0.41) ALDH1A1L3MBTL1EPHX2LMNANPSR1
SCHEMBL30204317 0.74 TSHR (0.40) ALDH1A1L3MBTL1LMNANPSR1TSHR
SCHEMBL12263795 0.73 L3MBTL1 (0.42) ALDH1A1L3MBTL1LMNANPSR1TSHR
SCHEMBL12263791 0.72 TSHR (0.40) ALDH1A1L3MBTL1EPHX2LMNANPSR1
SCHEMBL10140979 0.72 NPSR1 (0.40) ALDH1A1L3MBTL1EPHX2LMNANPSR1
SCHEMBL13187564 0.72 NPSR1 (0.40) ALDH1A1L3MBTL1EPHX2LMNANPSR1
SCHEMBL13122937 0.72 KMT2A (0.42) HRH4ALDH1A1L3MBTL1EPHX2LMNA
SCHEMBL889108 0.72 KMT2A (0.42) HRH4ALDH1A1L3MBTL1EPHX2LMNA
SCHEMBL17865644 0.71 KDM4E (0.48) HRH4ALDH1A1LMNANPSR1TSHR
SCHEMBL30864262 0.71 CYP2C9 (0.53) HRH4ALDH1A1L3MBTL1LMNANPSR1

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 HRH4 633/4885ALDH1A1 3181/4885L3MBTL1 3574/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF HRH4 739/4885ALDH1A1 3023/4885L3MBTL1 3576/4885

“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.