SCHEMBL17865508

SCHEMBL17865508

O=C(Nc1cccc(-c2ccccc2)c1)c1cc2cc(Cl)cc(NC3CCNCC3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
NHERF1 O14745 2/20 0.42
NSD2 O96028 1/20 0.41
HDAC1 Q13547 1/20 0.41
P2RY14 Q15391 1/20 0.40
GRIK1 P39086 1/20 0.39
CNR1 P21554 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
F10 P00742 1/20 0.39
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PYGL P06737 3/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17865496 0.80 HRH4 (0.42) BRD4ATAD2
SCHEMBL16523010 0.79 STK39 (0.42) NHERF1NPC1LMNARAB9A
SCHEMBL16523016 0.77 EPHX1 (0.47) NHERF1NSD2NPC1LMNARAB9A
SCHEMBL3014663 0.77 BRD4 (0.43) BRD4ATAD2NPC1LMNARAB9A
SCHEMBL17865546 0.73 BRD4 (0.43) BRD4ATAD2
SCHEMBL17865497 0.73 HDAC6 (0.48) NPC1LMNASMN1; SMN2
SCHEMBL3814104 0.71 BRD4 (0.39) HDAC1BRD4ATAD2NPC1LMNA
SCHEMBL17865525 0.71 F7 (0.41) PYGL
SCHEMBL3001840 0.70 JAK1 (0.48) POLB
SCHEMBL17865527 0.69 GRIN2D (0.49) NPC1

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
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP claimed
US-9868731-B2 Indole amide compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2018-01-16 US claimed
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-07 US claimed
EP-3037412-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP claimed
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP disclosed
US-9868731-B2 Indole amide compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2018-01-16 US disclosed
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-07 US disclosed
EP-3037412-A1 INDOLE AMIDE 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 (1 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-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF DGAT1 1352/4885NHERF1 266/4885NSD2 989/4885

“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.