SCHEMBL3755895

SCHEMBL3755895

OC(c1ccccc1-c1cc2cc(Cl)cc(NC3CCCC3)c2[nH]1)C(O)c1ccccc1-c1cc2cc(Cl)cc(NC3CCCC3)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.34
LMNA P02545 2/20 0.33
RIPK1 Q13546 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.33
MAPT P10636 3/20 0.32
IDO1 P14902 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PIM1 P11309 3/20 0.32
PIM2 Q9P1W9 3/20 0.32
TDO2 P48775 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KMT5B Q4FZB7 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
SCHEMBL3004154 0.83 IDO1 (0.34) ADORA1LMNARIPK1MAPK1MAPT
SCHEMBL2999756 0.83 IDO1 (0.42) ADORA1LMNAIDO1GAAPIM1
SCHEMBL3005194 0.81 ADORA1 (0.45) ADORA1LMNARIPK1CYP1A2CYP2C19
SCHEMBL3748029 0.81 CHEK1 (0.39) ADORA1RIPK1CNR1MAPTTDO2
SCHEMBL3007638 0.80 ADORA1 (0.46) ADORA1LMNARIPK1CNR1MAPT
SCHEMBL3003687 0.80 RIPK1 (0.44) RIPK1HSD17B10KDM4EGAAMEN1
SCHEMBL3755897 0.80 ADORA1 (0.33) ADORA1RIPK1MAPTPIM1PIM2
SCHEMBL3011458 0.74 CHEK1 (0.41) ADORA1RIPK1CNR1MAPTKDM4E
SCHEMBL2999191 0.74 HCAR3 (0.44) ADORA1RIPK1CNR1CHEK1KCNH2
SCHEMBL3007636 0.74 RIPK1 (0.40) ADORA1RIPK1TDO2KMT5BKMT5C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 US disclosed
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 US 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-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT ADORA1 293/4885LMNA 1945/4885RIPK1 516/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT ADORA1 293/4885LMNA 1945/4885RIPK1 516/4885

“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.