SCHEMBL6477751

SCHEMBL6477751

COc1ccc(NC(=O)C=Cc2c(-c3ccccc3)n(C)c3ncccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.63
MMP1 P03956 3/20 0.52
MMP2 P08253 3/20 0.52
MMP9 P14780 3/20 0.52
EGFR P00533 1/20 0.52
HDAC1 Q13547 6/20 0.47
HDAC2 Q92769 6/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL6477745 1.00 ABCB1 (0.63) ABCB1MMP1MMP2MMP9EGFR
SCHEMBL6478016 0.80 ABCB1 (0.48) ABCB1EGFRRAB9ANPC1MAPT
SCHEMBL6478007 0.80 ABCB1 (0.48) ABCB1EGFRRAB9ANPC1MAPT
SCHEMBL6479651 0.79 ALDH1A1 (0.52) ABCB1HDAC1RAB9ANPC1MAPT
SCHEMBL6479653 0.79 ALDH1A1 (0.52) ABCB1HDAC1RAB9ANPC1MAPT
SCHEMBL6477755 0.76 ABCB1 (0.47) ABCB1EGFRRAB9ANPC1MAPT
SCHEMBL6477752 0.76 ABCB1 (0.47) ABCB1EGFRRAB9ANPC1MAPT
SCHEMBL6478691 0.75 ABCB1 (0.45) ABCB1RAB9ANPC1MAPTMEN1
SCHEMBL6478694 0.75 ABCB1 (0.45) ABCB1RAB9ANPC1MAPTMEN1
SCHEMBL6487256 0.74 ABCB1 (0.43) ABCB1EGFRMAPTMEN1LMNA

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 2911/4885MMP1 313/4885MMP2 246/4885

“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.