SCHEMBL4869753

SCHEMBL4869753

COC(=O)c1cc(N2CCC(n3ccc4c(Cl)c(C)[nH]c4c3=O)CC2)nc(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
RBP4 P02753 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
AURKA O14965 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
IDH1 O75874 2/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
USP2 O75604 1/20 0.30
PKM P14618 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
SCHEMBL4764944 0.90 SCD (0.33) RBP4
SCHEMBL4877465 0.76 MAPT (0.36) KDM4EHSD17B10MAPTSMN1; SMN2CASP1
SCHEMBL4724787 0.75 CYP11B2 (0.33) RBP4LMNAKDM4EALDH1A1HPGD
SCHEMBL3281495 0.73 ABCC2 (0.45)
Hydrochloric Acid SCHEMBL5222812 0.73 LMNA (0.46) HRH3RBP4LMNAKDM4EALDH1A1
SCHEMBL4764896 0.73 ABCC2 (0.47)
SCHEMBL4764601 0.70 TP53 (0.33) KDM4EALDH1A1HSD17B10TP53MEN1
SCHEMBL2178736 0.70 LMNA (0.40) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL3412871 0.69 SMN1; SMN2 (0.41) LMNAKDM4EALDH1A1HPGDTP53
SCHEMBL19072335 0.69 NAPEPLD (0.42) RBP4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 SDHA, QDPR, PNKP HRH3 3006/4885RBP4 2950/4885LMNA 4384/4885

“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.