SCHEMBL17865653

SCHEMBL17865653

O=C1CN(CCc2cc3cc(Cl)cc(NCC4CCCO4)c3[nH]2)CCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
MAPT P10636 5/20 0.37
HTT P42858 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TNK2 Q07912 2/20 0.34
TSHR P16473 3/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL17865698 0.97 ALDH1A1 (0.35) ALDH1A1MAPTHTTCYP1A2CYP2C19
SCHEMBL17865701 0.86 KMT2A (0.35) ALDH1A1SMN1; SMN2KMT2AKDM4EATM
SCHEMBL16525580 0.79 SYK (0.38) SMN1; SMN2KMT2AATM
SCHEMBL17865688 0.78 CLPP (0.38) SMN1; SMN2KMT2AATM
SCHEMBL17865677 0.77 KMT2A (0.39) ALDH1A1MAPK1SMN1; SMN2KMT2AKDM4E
SCHEMBL16525678 0.75 SYK (0.36) ALDH1A1SMN1; SMN2
SCHEMBL17865674 0.74 TNK2 (0.34) ALDH1A1MAPTHTTCYP1A2CYP2C19
SCHEMBL16525573 0.72 KMT2A (0.40) ALDH1A1SMN1; SMN2KMT2AKDM4EATM
SCHEMBL17865700 0.72 PDE8B (0.33) ALDH1A1MAPTHTTCYP1A2CYP2C19
SCHEMBL17865702 0.71 CSF1R (0.39) KDM4EL3MBTL1

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

“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.