SCHEMBL6478016

SCHEMBL6478016

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
TEK Q02763 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
FEN1 P39748 1/20 0.41
PADI4 Q9UM07 3/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGER1 P34995 1/20 0.35
CYP2C19 P33261 2/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL6478007 1.00 ABCB1 (0.48) ABCB1TEKALDH1A1LMNAEGFR
SCHEMBL6487252 0.93 ABCB1 (0.43) ABCB1TEKALDH1A1LMNAEGFR
SCHEMBL6487256 0.93 ABCB1 (0.43) ABCB1TEKALDH1A1LMNAEGFR
SCHEMBL6491313 0.90 ABCB1 (0.42) ABCB1LMNAEGFRSRCFEN1
SCHEMBL6478691 0.86 ABCB1 (0.45) ABCB1ALDH1A1LMNAMAPTPOLB
SCHEMBL6478694 0.86 ABCB1 (0.45) ABCB1ALDH1A1LMNAMAPTPOLB
SCHEMBL6477752 0.85 ABCB1 (0.47) ABCB1TEKALDH1A1LMNAEGFR
SCHEMBL6477755 0.85 ABCB1 (0.47) ABCB1TEKALDH1A1LMNAEGFR
SCHEMBL6479166 0.84 ABCB1 (0.51) ABCB1ALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL6479171 0.84 ABCB1 (0.51) ABCB1ALDH1A1MAPTSMN1; SMN2HSD17B10

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 2911/4885TEK 105/4885ALDH1A1 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.