SCHEMBL17865677

SCHEMBL17865677

O=C1CN(Cc2cc3cc(Cl)cc(NCC4CCOCC4)c3[nH]2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CSF1R P07333 1/20 0.34
CDK9 P50750 7/20 0.33
CCNT1 O60563 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.31
SYK P43405 1/20 0.31
KCNH2 Q12809 1/20 0.31
AURKB Q96GD4 1/20 0.31
PARP14 Q460N5 1/20 0.31
FGFR3 P22607 1/20 0.31
SLC2A1 P11166 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL17865701 0.91 KMT2A (0.35) KMT2AATMMKNK1MKNK2KDM4E
SCHEMBL17865675 0.89 KDM4E (0.36) KMT2AATMMKNK1MKNK2KDM4E
SCHEMBL17865664 0.80 BRD4 (0.40) KMT2AATMKDM4EALDH1A1SYK
SCHEMBL16525573 0.80 KMT2A (0.40) KMT2AATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL3005858 0.79 KDM4E (0.40) KMT2AATMMKNK1MKNK2KDM4E
SCHEMBL17865702 0.78 CSF1R (0.39) MKNK1MKNK2KDM4ECSF1RCDK9
SCHEMBL17865653 0.77 ALDH1A1 (0.37) KMT2AATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL17865698 0.77 ALDH1A1 (0.35) KMT2AATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL3000153 0.77 CSF1R (0.41) KMT2AATMMKNK1MKNK2KDM4E
SCHEMBL17865647 0.75 CCNT1 (0.34) MKNK1MKNK2ALDH1A1CSF1RCDK9

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 KMT2A 4108/4885ATM 2960/4885MKNK1 350/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF KMT2A 3771/4885ATM 3152/4885MKNK1 393/4885

“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.