SCHEMBL2173458

SCHEMBL2173458

COC(=O)c1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.59
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 4/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL23293661 0.87 ALDH1A1 (0.75) ALDH1A1KDM4ESMN1; SMN2HSD17B10CASP1
SCHEMBL31203319 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HSD17B10CASP1
SCHEMBL29631644 0.78 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2HSD17B10CASP1
SCHEMBL31690913 0.77 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2HSD17B10CASP1
SCHEMBL6004614 0.77 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HSD17B10CASP1
SCHEMBL1210091 0.77 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HSD17B10CASP1
SCHEMBL27945037 0.76 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2HSD17B10CASP1
SCHEMBL27945041 0.75 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2HSD17B10CASP1
SCHEMBL30905509 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2HSD17B10CASP1
SCHEMBL21165547 0.74 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2HSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 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-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 ALDH1A1 887/4885KDM4E 2492/4885SMN1; SMN2 2298/4885

“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.