SCHEMBL17865703

SCHEMBL17865703

O=C1CN(Cc2cc3cc(Cl)cc([N+](=O)[O-])c3[nH]2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC2A1 P11166 2/20 0.35
CHUK O15111 1/20 0.34
FGFR1 P11362 1/20 0.33
MEN1 O00255 1/20 0.33
KCNH2 Q12809 1/20 0.33
FGFR3 P22607 1/20 0.33
SLC2A2 P11168 2/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
FBP1 P09467 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
SCHEMBL17865696 0.82 KMT2A (0.46) HRH4KMT2AATMSMN1; SMN2KDM4E
SCHEMBL16525573 0.75 KMT2A (0.40) KMT2AATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL3008812 0.75 KMT2A (0.41) KMT2AATMSMN1; SMN2KDM4ESLC2A1
SCHEMBL17865677 0.74 KMT2A (0.39) KMT2AATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL17865690 0.72 HRH4 (0.49) HRH4KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17865638 0.72 HRH4 (0.46) HRH4KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3144017 0.67 KCNJ1 (0.56) SMN1; SMN2KDM4EALDH1A1KCNH2
SCHEMBL27787944 0.66 HRH4 (0.41) HRH4SMN1; SMN2ALDH1A1CHUKFBP1
SCHEMBL16525580 0.65 SYK (0.38) KMT2AATMSMN1; SMN2KCNH2
SCHEMBL4388417 0.65 F10 (0.45) HRH4KMT2AATMKDM4EALDH1A1

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 4108/4885ATM 2960/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF HRH4 739/4885KMT2A 3771/4885ATM 3152/4885

“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.