SCHEMBL6477966

SCHEMBL6477966

Cn1c(-c2ccccc2)c(C(=O)O)c2cccnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.51
SRC P12931 1/20 0.51
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
DHODH Q02127 5/20 0.46
AGTR1 P30556 3/20 0.46
FEN1 P39748 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE10A Q9Y233 2/20 0.42
TSHR P16473 1/20 0.42
HK1 P19367 1/20 0.42

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
SCHEMBL4064009 0.92 EGFR (0.46) EGFRSRCALDH1A1KDM4EPOLB
SCHEMBL6485737 0.81 CYP1A2 (0.42) ALDH1A1KDM4EPOLBHPGDDHODH
SCHEMBL29912955 0.81 CYP1A2 (0.42) ALDH1A1KDM4EPOLBHPGDDHODH
SCHEMBL21979475 0.79 EGFR (0.50) EGFRSRCALDH1A1KDM4EDHODH
SCHEMBL2287924 0.78 FEN1 (0.43) EGFRSRCALDH1A1FEN1SMN1; SMN2
SCHEMBL13787017 0.78 CYP11B2 (0.51) EGFRSRCALDH1A1DHODHFEN1
SCHEMBL4781863 0.77 FEN1 (0.42) EGFRSRCALDH1A1FEN1L3MBTL1
SCHEMBL6478007 0.77 ABCB1 (0.48) EGFRSRCALDH1A1KDM4EPOLB
SCHEMBL6478016 0.77 ABCB1 (0.48) EGFRSRCALDH1A1KDM4EPOLB
SCHEMBL3223827 0.77 ALDH1A1 (0.61) EGFRSRCALDH1A1POLBFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 EGFR 13/4885SRC 326/4885ALDH1A1 2521/4885

“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.