SCHEMBL17865660

SCHEMBL17865660

O=[N+]([O-])c1cc(Cl)cc2cc(COC3CCCCO3)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FBP1 P09467 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
CHUK O15111 1/20 0.31
MEN1 O00255 1/20 0.30
P2RX3 P56373 1/20 0.30

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
SCHEMBL17865662 0.90 KDM4C (0.39) HRH4KMT2ANPC1ALDH1A1RAB9A
SCHEMBL17865663 0.78 HRH4 (0.39) HRH4FBP1
SCHEMBL6391899 0.76 KMT2A (0.41) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9583765 0.73 KMT2A (0.46) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30684259 0.73 KDM4C (0.37) KMT2ANPC1RAB9AKDM4CMEN1
SCHEMBL17865690 0.70 HRH4 (0.49) HRH4KMT2AALDH1A1SMN1; SMN2FBP1
SCHEMBL17865638 0.70 HRH4 (0.46) HRH4KMT2AALDH1A1SMN1; SMN2FBP1
SCHEMBL31703050 0.70 L3MBTL1 (0.43) KMT2ANPC1RAB9AKDM4CMEN1
SCHEMBL15728455 0.70 KDM4C (0.35) KMT2ANPC1RAB9AKDM4CMEN1
SCHEMBL15365454 0.70 KMT2A (0.36) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2

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 4 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

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 HRH4 633/4885KMT2A 4108/4885NPC1 1452/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF HRH4 739/4885KMT2A 3771/4885NPC1 1178/4885

“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.