SCHEMBL6477841

SCHEMBL6477841

Cn1c(-c2ccc3c(c2)OCO3)c(/C=C/C(=O)O)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
TP53 P04637 4/20 0.41
DHODH Q02127 1/20 0.41
LMNA P02545 3/20 0.41
PMP22 Q01453 1/20 0.41
GLO1 Q04760 1/20 0.41
HPGD P15428 5/20 0.40
HSD17B10 Q99714 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 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
SCHEMBL6477843 1.00 KDM4E (0.47) KDM4EALDH1A1TP53DHODHLMNA
SCHEMBL6478007 0.81 ABCB1 (0.48) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL6478016 0.81 ABCB1 (0.48) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL6479171 0.81 ABCB1 (0.51) KDM4EALDH1A1TP53DHODHHPGD
SCHEMBL6479166 0.81 ABCB1 (0.51) KDM4EALDH1A1TP53DHODHHPGD
SCHEMBL6491313 0.80 ABCB1 (0.42) LMNAHPGDMAPTABCB1SMN1; SMN2
SCHEMBL6487256 0.80 ABCB1 (0.43) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL6487252 0.80 ABCB1 (0.43) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL6479906 0.80 ABCB1 (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6479910 0.80 ABCB1 (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1

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 KDM4E 756/4885ALDH1A1 2521/4885TP53 1889/4885

“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.