SCHEMBL17865688

SCHEMBL17865688

O=C1CN(CCc2cc3cc(Cl)cc(NCc4ccccc4)c3[nH]2)CCN1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 8/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC2A1 P11166 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
HTR6 P50406 2/20 0.34
MAOB P27338 1/20 0.34
CDC7 O00311 1/20 0.34
PIK3CB P42338 1/20 0.33
VCP P55072 1/20 0.33
BRD4 O60885 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
SCHEMBL17865701 0.79 KMT2A (0.35) KMT2AATMSMN1; SMN2DRD2DRD4
SCHEMBL16525580 0.79 SYK (0.38) KMT2AATMSMN1; SMN2DRD2DRD4
SCHEMBL17865653 0.78 ALDH1A1 (0.37) KMT2AATMSMN1; SMN2
SCHEMBL17865698 0.77 ALDH1A1 (0.35) KMT2AATMSMN1; SMN2
SCHEMBL16525678 0.74 SYK (0.36) SMN1; SMN2VCP
SCHEMBL17865650 0.71 CNR1 (0.39) VCPBRD4
SCHEMBL153020 0.71 SIGMAR1 (0.53) KMT2ADRD2
SCHEMBL17865677 0.70 KMT2A (0.39) KMT2AATMSMN1; SMN2SLC2A1
SCHEMBL16525573 0.69 KMT2A (0.40) KMT2AATMSMN1; SMN2SLC2A1VCP
SCHEMBL3001957 0.69 VCP (0.43) VCPBRD4

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 CLPP 4120/4885PDE4A 3262/4885PDE4B 2955/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF CLPP 4267/4885PDE4A 2884/4885PDE4B 2578/4885

“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.