SCHEMBL17865681

SCHEMBL17865681

Cc1cc(NC2CCCC2)c2[nH]c(C3CCNCC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.42
ATAD2 Q6PL18 4/20 0.42
HRH4 Q9H3N8 2/20 0.40
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
NPY5R Q15761 1/20 0.33
HTR2C P28335 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
PIM1 P11309 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
SCHEMBL3415446 0.91 NPY5R (0.40) BRD4ATAD2ALDH1A1LMNATSHR
SCHEMBL17865687 0.89 BRD4 (0.40) BRD4ATAD2PLGPLATCCNT1
SCHEMBL17865657 0.85 HRH4 (0.40) BRD4ATAD2HRH4CCNT1CDK9
SCHEMBL17865721 0.80 CDK9 (0.39) HRH4CCNT1CDK9HDAC8PIM1
SCHEMBL17865716 0.74 CDK9 (0.38) BRD4ATAD2PLGCCNT1CDK9
SCHEMBL17911123 0.73 LMNA (0.34) BRD4ATAD2LMNA
SCHEMBL17865536 0.73 HRH4 (0.53) HRH4
SCHEMBL17865504 0.73 PIN1 (0.41) BRD4ATAD2HRH4ALDH1A1LMNA
SCHEMBL2999762 0.72 BRD4 (0.48) BRD4ATAD2ALDH1A1LMNATSHR
SCHEMBL3005238 0.72 NPY5R (0.45) LMNANPY5R

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 BRD4 2391/4885ATAD2 3099/4885HRH4 633/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF BRD4 2061/4885ATAD2 2883/4885HRH4 739/4885

“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.