SCHEMBL17865701

SCHEMBL17865701

O=C1CN(CCc2cc3cc(Cl)cc(NCC4CCOCC4)c3[nH]2)CCN1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CCNT1 O60563 9/20 0.33
CDK9 P50750 8/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CSF1R P07333 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
SYK P43405 3/20 0.31
VCP P55072 1/20 0.31
KCNH2 Q12809 1/20 0.31
AURKB Q96GD4 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
SCHEMBL17865677 0.91 KMT2A (0.39) KMT2AATMMKNK1MKNK2CCNT1
SCHEMBL17865653 0.86 ALDH1A1 (0.37) KMT2AATMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17865702 0.86 CSF1R (0.39) MKNK1MKNK2CCNT1CDK9KDM4E
SCHEMBL17865698 0.85 ALDH1A1 (0.35) KMT2AATMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17865647 0.83 CCNT1 (0.34) MKNK1MKNK2CCNT1CDK9ALDH1A1
SCHEMBL16525580 0.81 SYK (0.38) KMT2AATMSMN1; SMN2DRD2DRD4
SCHEMBL17865675 0.80 KDM4E (0.36) KMT2AATMMKNK1MKNK2CCNT1
SCHEMBL17865688 0.79 CLPP (0.38) KMT2AATMSMN1; SMN2DRD2DRD4
SCHEMBL16525678 0.76 SYK (0.36) SMN1; SMN2ALDH1A1SYKVCP
SCHEMBL3005858 0.74 KDM4E (0.40) KMT2AATMMKNK1MKNK2KDM4E

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.