SCHEMBL1504723

SCHEMBL1504723

Cc1ccccc1-n1cc(C(=O)O)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
BLM P54132 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 2/20 0.40
MGLL Q99685 1/20 0.40
MAPT P10636 1/20 0.39
MYC P01106 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN7 P35236 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
RXRA P19793 1/20 0.38

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
SCHEMBL1504547 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EGAAMAPT
SCHEMBL375290 0.82 SLC22A12 (0.40) ALDH1A1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL16672403 0.81 PTGS1 (0.44) NOTUMKDM4EGAAMGLLALOX15
SCHEMBL30159505 0.81 PTGS1 (0.44) NOTUMKDM4EGAAMGLLALOX15
SCHEMBL11896118 0.80 EGFR (0.36) ALDH1A1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL3303543 0.78 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL146048 0.78 KDM4E (0.56) NOTUMALDH1A1HSD17B10HPGDKDM4E
SCHEMBL27774708 0.77 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDKDM4EGAA
SCHEMBL14886523 0.77 IDH1 (0.49) ALDH1A1HSD17B10HPGDKDM4ECYP1A2
SCHEMBL1504002 0.75 TTR (0.42) KDM4ECYP1A2RORC

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-8173684-B2 Pyridone derivatives as p38α MAPK inhibitors ASTELLAS PHARMA INC. (JP) 2012-05-08 US disclosed
EP-2155683-B1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC (JP) 2011-03-16 EP disclosed
US-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS ASTELLAS PHARMA INC. (JP) 2010-03-11 US 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-20100063098-A1 PYRIDONE DERIVATIVES AS P38A MAPK INHIBITORS MAPK1, MAPK6, MAPK3 NOTUM 3950/4885ALDH1A1 671/4885HSD17B10 783/4885

“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.