SCHEMBL17865702

SCHEMBL17865702

Clc1cc(NCC2CCOCC2)c2[nH]c(CCN3CCOCC3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.39
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CNR2 P34972 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
CCNT1 O60563 5/20 0.35
CDK9 P50750 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PYGL P06737 1/20 0.34
CHRNA7 P36544 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TDO2 P48775 1/20 0.32

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
SCHEMBL17865647 0.90 CCNT1 (0.34) CSF1RDRD2DRD4DRD3CNR2
SCHEMBL17865701 0.86 KMT2A (0.35) CSF1RDRD2DRD4DRD3CCNT1
SCHEMBL17865677 0.78 KMT2A (0.39) CSF1RCCNT1CDK9MKNK1MKNK2
SCHEMBL17865680 0.76 DRD2 (0.33) CSF1RDRD2DRD4DRD3CNR2
SCHEMBL17865685 0.76 CCNT1 (0.34) CNR2CCNT1CDK9
SCHEMBL3011556 0.73 CSF1R (0.53) CSF1RCCNT1CDK9MKNK1MKNK2
SCHEMBL17865653 0.71 ALDH1A1 (0.37) L3MBTL1KDM4E
SCHEMBL17865698 0.71 ALDH1A1 (0.35) L3MBTL1KDM4ETDO2
SCHEMBL15005761 0.69 CSF1R (0.32) CSF1RCNR2CCNT1CDK9KDM4E
SCHEMBL3019811 0.68 LRRK2 (0.36) CSF1RCNR2CDK9TDO2

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
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US claimed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP claimed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US claimed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP claimed
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 CSF1R 2988/4885DRD2 1227/4885DRD4 1850/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF CSF1R 2352/4885DRD2 1056/4885DRD4 1510/4885

“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.