SCHEMBL17865504

SCHEMBL17865504

Cc1cc(NC2CCCC2)c2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.41
HCAR3 P49019 3/20 0.40
HDAC8 Q9BY41 1/20 0.40
XDH P47989 1/20 0.40
HRH4 Q9H3N8 2/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 2/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR35 Q9HC97 1/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
CISD1 Q9NZ45 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL17865525 0.84 F7 (0.41) HCAR3HRH4ALDH1A1MEN1KMT2A
SCHEMBL17865536 0.81 HRH4 (0.53) HRH4MEN1KMT2ANPC1RAB9A
SCHEMBL17865500 0.81 HRH4 (0.51) HRH4MEN1KMT2ANPC1POLB
SCHEMBL27800859 0.78 HCAR3 (0.41) HCAR3HDAC8ALOX15KMT2ARAB9A
SCHEMBL16523065 0.77 SMYD3 (0.40) LMNABRD4
SCHEMBL3020621 0.77 ALDH1A1 (0.39) PIN1HCAR3HDAC8ALDH1A1KDM4E
SCHEMBL22476780 0.76 HRH4 (0.51) HRH4MEN1KMT2ANPC1RAB9A
SCHEMBL3415446 0.76 NPY5R (0.40) HDAC8ALDH1A1KDM4ELMNAALOX15
SCHEMBL3005238 0.75 NPY5R (0.45) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL17865496 0.74 HRH4 (0.42) HRH4BRD4ATAD2

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 10 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
CN-105658625-A Indole amide compound as inhibitor of necrosis 株式会社LG生命科学 2016-06-08 CN 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
CN-105658625-A Indole amide compound as inhibitor of necrosis 株式会社LG生命科学 2016-06-08 CN 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 PIN1 214/4885HCAR3 324/4885HDAC8 329/4885

“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.