SCHEMBL4874945

SCHEMBL4874945

Cc1[nH]c2c(=O)n(C3CCN(c4nc5cccc(C(=O)O)c5s4)CC3)ccc2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 1/20 0.38
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAAA Q02083 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL4878363 0.90 MAPT (0.37) ALDH1A1HPGDTP53NAAALMNA
SCHEMBL4879836 0.79 ABCC2 (0.38)
SCHEMBL4833628 0.75 ITGAL (0.39) ITGALALDH1A1HPGDNPC1RAB9A
SCHEMBL4764944 0.75 SCD (0.33)
SCHEMBL4877465 0.75 MAPT (0.36) SMN1; SMN2MAPTKDM4E
SCHEMBL4868563 0.75 ABCC2 (0.45)
SCHEMBL4879470 0.73 OGA (0.42) ALDH1A1HPGDNPC1RAB9AMEN1
SCHEMBL15121736 0.72 ABCC2 (0.51)
SCHEMBL15121866 0.72 ABCC2 (0.51)
SCHEMBL15122108 0.70 ABCC2 (0.52)

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 ITGAL 4755/4885ALDH1A1 937/4885HPGD 292/4885

“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.