SCHEMBL17865506

SCHEMBL17865506

O=C(NCc1ccccc1)c1cc2cc(Cl)cc(NCC3CCCN3)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
HTR6 P50406 2/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
NHERF1 O14745 1/20 0.40
IKBKB O14920 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK10 P53779 1/20 0.39
ROCK2 O75116 2/20 0.39
PYGL P06737 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK1 Q13464 1/20 0.39
PBK Q96KB5 1/20 0.37

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
SCHEMBL17865505 0.84 TDO2 (0.40) MAOBHTR6
SCHEMBL18766925 0.68 NHERF1 (0.79) CA12CA1CA2CA9NHERF1
SCHEMBL1162536 0.67 POLB (0.56) POLBHTR2CMEN1KMT2A
SCHEMBL1162602 0.67 POLB (0.56) POLBHTR2CMEN1KMT2A
SCHEMBL8854588 0.67 POLB (0.56) POLBHTR2CMEN1KMT2A
SCHEMBL9076410 0.66 LTA4H (0.48) IKBKBHTR2C
SCHEMBL9076405 0.66 LTA4H (0.48) IKBKBHTR2C
SCHEMBL4266812 0.65 MAPT (0.66) MAPTCA12CA1CA2CA9
SCHEMBL13694086 0.64 POLB (0.53) POLBIKBKBMEN1KMT2APBK
SCHEMBL8274391 0.63 ADRB1 (0.60) IKBKBROCK2ROCK1PBK

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 MAOB 162/4885HTR6 590/4885MAPT 1663/4885

“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.