SCHEMBL17865657

SCHEMBL17865657

Clc1cc(NC2CCCC2)c2[nH]c(C3CCNCC3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.40
CDK9 P50750 8/20 0.37
BRD4 O60885 2/20 0.37
ATAD2 Q6PL18 1/20 0.37
CCNT1 O60563 7/20 0.35
RIPK1 Q13546 1/20 0.34
TDO2 P48775 1/20 0.33
KMT5B Q4FZB7 1/20 0.33
KMT5C Q86Y97 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
SCHEMBL17865716 0.89 CDK9 (0.38) CDK9BRD4ATAD2CCNT1
SCHEMBL17865681 0.85 BRD4 (0.42) HRH4CDK9BRD4ATAD2CCNT1
SCHEMBL3415446 0.75 NPY5R (0.40) BRD4ATAD2
SCHEMBL17865687 0.74 BRD4 (0.40) CDK9BRD4ATAD2CCNT1
SCHEMBL16525679 0.74 TDO2 (0.36) RIPK1TDO2KMT5BKMT5C
SCHEMBL17865496 0.73 HRH4 (0.42) HRH4BRD4ATAD2TDO2
SCHEMBL17865651 0.73 TDO2 (0.31) HRH4RIPK1TDO2
SCHEMBL17865525 0.73 F7 (0.41) HRH4
SCHEMBL3014663 0.72 BRD4 (0.43) BRD4ATAD2
SCHEMBL3005194 0.72 ADORA1 (0.45) RIPK1

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-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
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 633/4885CDK9 799/4885BRD4 2391/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF HRH4 739/4885CDK9 683/4885BRD4 2061/4885

“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.