SCHEMBL17865698

SCHEMBL17865698

O=C1CN(CCc2cc3cc(Cl)cc(NCC4CCCCO4)c3[nH]2)CCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
HTT P42858 4/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.34
GLA P06280 1/20 0.34
TNK2 Q07912 1/20 0.33
MAPK1 P28482 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN5A Q14524 1/20 0.32
ATM Q13315 1/20 0.32
HCAR3 P49019 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
SCHEMBL17865653 0.97 ALDH1A1 (0.37) ALDH1A1HTTMAPTCYP1A2CYP2C19
SCHEMBL17865701 0.85 KMT2A (0.35) ALDH1A1SMN1; SMN2KDM4EKMT2AATM
SCHEMBL16525580 0.79 SYK (0.38) SMN1; SMN2KMT2AATM
SCHEMBL17865688 0.77 CLPP (0.38) SMN1; SMN2KMT2AATM
SCHEMBL17865677 0.77 KMT2A (0.39) ALDH1A1MAPK1SMN1; SMN2KDM4EKMT2A
SCHEMBL17865700 0.74 PDE8B (0.33) ALDH1A1HTTMAPTCYP1A2CYP2C19
SCHEMBL16525678 0.74 SYK (0.36) ALDH1A1SMN1; SMN2PIM1
SCHEMBL16525573 0.73 KMT2A (0.40) ALDH1A1SMN1; SMN2KDM4EKMT2AATM
SCHEMBL17865674 0.71 TNK2 (0.34) ALDH1A1HTTMAPTCYP1A2CYP2C19
SCHEMBL17865702 0.71 CSF1R (0.39) KDM4EL3MBTL1TDO2

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 7 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
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 ALDH1A1 3181/4885HTT 1579/4885MAPT 2077/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF ALDH1A1 3023/4885HTT 1308/4885MAPT 1893/4885

“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.