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) —
SCHEMBL15122198 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.

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