SCHEMBL13919613

SCHEMBL13919613

N[C@H](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ NR1H3 Q13133 1/20 0.46
▸ RPS6KA2 Q15349 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ CASP3 P42574 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GLS O94925 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4782347 0.88 CASP3 (0.55) POLBALDH1A1CASP3GLSMAPT
SCHEMBL4780119 0.88 CASP3 (0.55) POLBALDH1A1CASP3GLSMAPT
SCHEMBL4782342 0.88 CASP3 (0.55) POLBALDH1A1CASP3GLSMAPT
SCHEMBL13919599 0.85 POLB (0.54) POLBNR1H3RPS6KA2ALDH1A1NPC1
SCHEMBL7614758 0.81 GLS (0.55) ALDH1A1CASP3CA1CA2CA4
SCHEMBL20925878 0.80 DPP4 (0.42) POLBALDH1A1CASP3CA1CA2
SCHEMBL9214164 0.78 CASP3 (0.39) ALDH1A1CASP3CA1CA2CA4
SCHEMBL8127458 0.77 ALDH1A1 (0.50) ALDH1A1CASP3CA9NPC1RAB9A
SCHEMBL1065287 0.77 CASP3 (0.65) NR1H3RPS6KA2ALDH1A1CASP3CA1
SCHEMBL14092273 0.74 TDP1 (0.66) NR1H3RPS6KA2ALDH1A1CASP3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 — — US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 — — US disclosed
WO-2007022241-A2 NOVEL HIGH AFFINITY QUINOLINE-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 — — 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-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 POLB 710/4885NR1H3 2214/4885RPS6KA2 289/4885

“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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