SCHEMBL6479166

SCHEMBL6479166

COc1ccc(-c2c(/C=C/C(=O)O)c3cccnc3n2C)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.51
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.41
DHODH Q02127 1/20 0.40
SNCA P37840 1/20 0.40
SYK P43405 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 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
SCHEMBL6479171 1.00 ABCB1 (0.51) ABCB1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6478007 0.84 ABCB1 (0.48) ABCB1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL6478016 0.84 ABCB1 (0.48) ABCB1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL6478694 0.83 ABCB1 (0.45) ABCB1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6478691 0.83 ABCB1 (0.45) ABCB1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6491313 0.82 ABCB1 (0.42) ABCB1SMN1; SMN2HPGDHTTMAPT
SCHEMBL6487256 0.82 ABCB1 (0.43) ABCB1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6487252 0.82 ABCB1 (0.43) ABCB1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6478356 0.82 ABCB1 (0.58) ABCB1ALDH1A1HPGDMAPK1KMT2A
SCHEMBL6478362 0.82 ABCB1 (0.58) ABCB1ALDH1A1HPGDMAPK1KMT2A

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 ABCB1 2911/4885ALDH1A1 2521/4885KDM4E 756/4885

“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.