SCHEMBL17865638

SCHEMBL17865638

O=[N+]([O-])c1cc(Cl)cc2cc(CI)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
FBP1 P09467 2/20 0.40
CHUK O15111 1/20 0.40
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PLCG2 P16885 1/20 0.36
APEX1 P27695 1/20 0.35
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
VCAM1 P19320 1/20 0.33
XDH P47989 1/20 0.32

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
SCHEMBL17865690 0.85 HRH4 (0.49) HRH4FBP1CHUKTSHRALDH1A1
SCHEMBL27787944 0.78 HRH4 (0.41) HRH4FBP1CHUKTSHRALDH1A1
SCHEMBL1277932 0.73 APEX1 (0.62) HRH4FBP1CHUKPLCG2APEX1
SCHEMBL28785981 0.73 POLB (0.42) HRH4FBP1ALDH1A1APEX1MAPT
SCHEMBL17865703 0.72 HRH4 (0.43) HRH4FBP1CHUKALDH1A1KDM4E
SCHEMBL30978917 0.71 HRH4 (0.44) HRH4FBP1CHUKTSHRALDH1A1
SCHEMBL2999852 0.71 CYP19A1 (0.49) HRH4FBP1CHUKALDH1A1APEX1
SCHEMBL17865660 0.70 HRH4 (0.38) HRH4FBP1CHUKALDH1A1SMN1; SMN2
SCHEMBL11800281 0.70 TSHR (0.62) TSHRALDH1A1MAPTTDP1MAPK1
SCHEMBL13735209 0.69 HRH4 (0.57) HRH4FBP1ALDH1A1PLCG2APEX1

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 HRH4 633/4885FBP1 800/4885CHUK 46/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF HRH4 739/4885FBP1 1096/4885CHUK 49/4885

“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.