SCHEMBL4880729

SCHEMBL4880729

Cc1[nH]c2c(=O)n(C3CCN(c4nc(C(=O)O)cs4)CC3)ccc2c1Cl

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.39
OGA O60502 1/20 0.37
LDHA P00338 8/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL4879470 0.89 OGA (0.42) OGANPC1RAB9ASMN1; SMN2HRH3
SCHEMBL4764944 0.82 SCD (0.33)
SCHEMBL4764896 0.82 ABCC2 (0.47)
SCHEMBL4874945 0.80 ITGAL (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL4879836 0.79 ABCC2 (0.38)
SCHEMBL4868563 0.76 ABCC2 (0.45) HRH3
SCHEMBL4869753 0.74 HRH3 (0.33) SMN1; SMN2HRH3
SCHEMBL4878363 0.74 MAPT (0.37)
SCHEMBL4764601 0.72 TP53 (0.33) NPC1RAB9A
SCHEMBL4791760 0.72 BAZ2A (0.38) PTGER1OGALDHAHRH3

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 PTGER1 915/4885OGA 3959/4885LDHA 1120/4885

“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.