SCHEMBL17865644

SCHEMBL17865644

CC(C)(C)OC(=O)N1CCC(c2cc3cc(C(=O)O)cc([N+](=O)[O-])c3[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
THRB P10828 1/20 0.48
P2RY14 Q15391 1/20 0.43
GPR119 Q8TDV5 2/20 0.41
KCNH2 Q12809 1/20 0.41
HTT P42858 2/20 0.41
HPGDS O60760 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
HRH4 Q9H3N8 1/20 0.38
PKM P14618 1/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TOP2A P11388 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
SCHEMBL17865693 0.88 MAPT (0.45) KDM4EMAPTTHRBGPR119KCNH2
SCHEMBL17865649 0.86 MAPT (0.47) KDM4EMAPTTHRBGPR119KCNH2
SCHEMBL17911187 0.80 MAPT (0.42) KDM4EMAPTTHRBGPR119KCNH2
SCHEMBL16306756 0.78 KDM4E (0.54) KDM4EMAPTTHRBP2RY14GPR119
SCHEMBL17865678 0.71 HRH4 (0.46) KDM4EMAPTKCNH2HTTALDH1A1
SCHEMBL3141500 0.71 KDM4E (0.58) KDM4EMAPTTHRBGPR119HTT
SCHEMBL17092646 0.70 MAPT (0.52) KDM4EMAPTTHRBGPR119HTT
SCHEMBL26671831 0.70 GPR119 (0.47) MAPTGPR119HTTALDH1A1LMNA
SCHEMBL19268020 0.69 GPR119 (0.51) KDM4EMAPTTHRBGPR119HPGDS
SCHEMBL28410176 0.69 HPGD (0.48) KDM4EMAPTTHRBGPR119HTT

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-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
CN-105636956-A Indole compound as inhibitor of necrosis LG LIFE SCIENCES LTD 2016-06-01 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 (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 KDM4E 3948/4885MAPT 2077/4885THRB 1453/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF KDM4E 3410/4885MAPT 1893/4885THRB 2138/4885

“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.