SCHEMBL17865721

SCHEMBL17865721

CC(=O)N1CCC(c2cc3cc(C)cc(NC4CCCC4)c3[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 5/20 0.39
CASP3 P42574 3/20 0.39
CASP7 P55210 3/20 0.39
BTK Q06187 1/20 0.39
EPHX2 P34913 3/20 0.38
EPHX1 P07099 1/20 0.38
JAK1 P23458 1/20 0.36
CCNT1 O60563 2/20 0.36
ITK Q08881 1/20 0.36
QDPR P09417 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
SETD2 Q9BYW2 2/20 0.35
PDE10A Q9Y233 1/20 0.35
NSD2 O96028 1/20 0.35
CYP2C8 P10632 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1B P28222 1/20 0.35
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL17865666 0.91 PARP14 (0.39) CDK9CASP3CASP7BTKJAK1
SCHEMBL3415446 0.84 NPY5R (0.40) HDAC8
SCHEMBL17865681 0.80 BRD4 (0.42) CDK9CCNT1PIM1HDAC8HRH4
SCHEMBL3000216 0.77 NPY5R (0.50) CASP7JAK1ITKPIM1PIM2
SCHEMBL17865504 0.74 PIN1 (0.41) HDAC8HRH4MEN1KMT2A
SCHEMBL17865536 0.74 HRH4 (0.53) HRH4MEN1KMT2A
SCHEMBL17865500 0.73 HRH4 (0.51) HRH4MEN1KMT2A
SCHEMBL3006049 0.73 ITK (0.43) BTKJAK1ITKPIM1PIM2
SCHEMBL16525681 0.72 PARP14 (0.35) CDK9BTKJAK1CCNT1
SCHEMBL17865687 0.70 BRD4 (0.40) CDK9CCNT1PIM1PIM2

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 CDK9 799/4885CASP3 107/4885CASP7 140/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF CDK9 683/4885CASP3 105/4885CASP7 201/4885

“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.