SCHEMBL17865705

SCHEMBL17865705

Cc1cc(NC2CCCC2)c2[nH]c(CN3CCOCC3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
EZH2 Q15910 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
CSF1R P07333 1/20 0.34
TTK P33981 1/20 0.34
TSHR P16473 2/20 0.33
AURKA O14965 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33

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
SCHEMBL17865656 0.85 KMT2A (0.37) KMT2ANPC1RAB9AALDH1A1MEN1
SCHEMBL17865500 0.76 HRH4 (0.51) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17865640 0.72 NPC1 (0.34) KMT2ANPC1RAB9AALDH1A1HSD17B10
SCHEMBL22476780 0.70 HRH4 (0.51) KMT2ANPC1RAB9AMEN1CDK2
SCHEMBL3415446 0.70 NPY5R (0.40) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3030293 0.69 NPY5R (0.34) KDM4EKMT2AALDH1A1HPGDHSD17B10
SCHEMBL3030297 0.69 NPY5R (0.34) KDM4EKMT2AALDH1A1HPGDHSD17B10
SCHEMBL1278137 0.69 NPY5R (0.33) CSF1R
SCHEMBL3418132 0.69 NPY5R (0.34) KDM4EKMT2AALDH1A1HPGDHSD17B10
SCHEMBL1278133 0.69 NPY5R (0.33) CSF1R

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 8 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 claimed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP claimed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US claimed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP claimed
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 KDM4E 3948/4885EZH2 1739/4885KMT2A 4108/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF KDM4E 3410/4885EZH2 1596/4885KMT2A 3771/4885

“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.