SCHEMBL3748029

SCHEMBL3748029

OC(c1ccc(-c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)cc1)C(O)c1ccc(-c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.39
KCNH2 Q12809 3/20 0.39
CNR1 P21554 2/20 0.38
RIPK1 Q13546 2/20 0.34
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
AKT1 P31749 2/20 0.32
KMT5B Q4FZB7 2/20 0.32
KMT5C Q86Y97 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPT P10636 2/20 0.31
PSMD14 O00487 1/20 0.31
KIT P10721 1/20 0.31
MCHR1 Q99705 1/20 0.31
HSP90AA1 P07900 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL3011458 0.85 CHEK1 (0.41) CHEK1KCNH2CNR1RIPK1ADORA2A
SCHEMBL3005194 0.84 ADORA1 (0.45) CHEK1KCNH2RIPK1ADORA2AADORA1
SCHEMBL2999191 0.84 HCAR3 (0.44) CHEK1KCNH2CNR1RIPK1ADORA2A
SCHEMBL3007636 0.84 RIPK1 (0.40) CHEK1KCNH2RIPK1ADORA2AADORA1
SCHEMBL3007638 0.83 ADORA1 (0.46) CHEK1KCNH2CNR1RIPK1ADORA2A
SCHEMBL3013767 0.81 CHEK1 (0.41) CHEK1KCNH2CNR1RIPK1
SCHEMBL3755895 0.81 ADORA1 (0.34) CHEK1KCNH2CNR1RIPK1ADORA1
SCHEMBL3748032 0.81 CHEK1 (0.37) CHEK1KCNH2RIPK1ADORA2AADORA1
SCHEMBL3008980 0.81 PLA2G1B (0.41) CHEK1KCNH2MAPTPSMD14
SCHEMBL3008763 0.78 POLB (0.50) KIT

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 CHEK1 1034/4885KCNH2 563/4885CNR1 1366/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT CHEK1 1034/4885KCNH2 563/4885CNR1 1366/4885

“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.