SCHEMBL6887258

SCHEMBL6887258

N#CCCCn1c(=O)oc(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
KDM4E B2RXH2 2/20 0.44
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
TSHR P16473 2/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL6239419 0.86 ALDH1A1 (0.48) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL1061987 0.81 PGR (0.60) ALDH1A1NPSR1KDM4EHPGDLMNA
SCHEMBL17208786 0.81 ALDH1A1 (0.51) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL11688278 0.81 ALDH1A1 (0.51) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL11389425 0.81 ALDH1A1 (0.51) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL1150044 0.80 KDM4E (0.56) PIM1PIM3KDM4EMEN1LMNA
SCHEMBL20968383 0.79 ALDH1A1 (0.54) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL2453991 0.79 PGR (0.55) ALDH1A1NPSR1KDM4EHPGDSMN1; SMN2
SCHEMBL6236243 0.78 ALDH1A1 (0.57) ALDH1A1NPSR1TSHRRAB9ASMN1; SMN2
SCHEMBL6738655 0.78 MYLK (0.52) ALDH1A1NPSR1KDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034041-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-02-19 US disclosed
EP-1292310-A1 NOVEL ANTI-INFECTIVES SmithKline Beecham Corporation (US) 2003-03-19 EP disclosed
WO-2001085172-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-11-15 WO 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 (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-20040034041-A1 Novel anti-infectives CTSL, MMP8, SERPINB1 ALDH1A1 4350/4885NPSR1 3785/4885PIM1 2715/4885

“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.