SCHEMBL6652546

SCHEMBL6652546

COc1ccc2nc(O)cc(C(F)(F)F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
POLB P06746 3/20 0.44
HPGD P15428 2/20 0.44
NT5E P21589 1/20 0.44
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
CDK2 P24941 1/20 0.42
CLK1 P49759 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
NQO2 P16083 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1161734 0.83 POLB (0.57) ABCC8KCNJ11KDM4EALDH1A1HSD17B10
SCHEMBL2852804 0.82 ABCC8 (0.47) ABCC8KCNJ11KDM4EALDH1A1HSD17B10
SCHEMBL6104751 0.79 KDM4E (0.50) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL30945017 0.78 MAPT (0.54) KDM4EHSD17B10POLBRAD52MEN1
SCHEMBL29230131 0.78 MAPT (0.54) KDM4EHSD17B10POLBRAD52MEN1
SCHEMBL9849499 0.78 POLB (0.62) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL30944946 0.77 CSF1R (0.41) ABCC8KCNJ11KDM4EALDH1A1HSD17B10
SCHEMBL29230394 0.77 CSF1R (0.41) ABCC8KCNJ11KDM4EALDH1A1HSD17B10
SCHEMBL19680530 0.76 BACE1 (0.46) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL25912335 0.76 DHODH (0.48) KDM4EALDH1A1HSD17B10POLBHPGD

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
WO-2020063854-A1 QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS 南京明德新药研发有限公司 2020-04-02 WO disclosed
CN-100341862-C Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORP (JP) 2007-10-10 CN disclosed
CN-1606549-A Thiazolidine derivative and medical application thereof MITSUBISHI PHARMA CORP (JP) 2005-04-13 CN disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 EP 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-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 ABCC8 453/4885KCNJ11 924/4885KDM4E 1384/4885

“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.