SCHEMBL14027233

SCHEMBL14027233

COc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(OC)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.83
▸ MMP10 P09238 1/20 0.71
▸ MMP13 P45452 1/20 0.71
▸ KMT2A Q03164 5/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ CFTR P13569 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ UBE2N P61088 1/20 0.60
▸ GOPC Q9HD26 1/20 0.60
▸ JMJD6 Q6NYC1 1/20 0.58
▸ KDM4E B2RXH2 5/20 0.56
▸ MAPT P10636 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL15762973 0.71 JMJD6 (0.73) POLBMMP10MMP13KMT2AMEN1
SCHEMBL18704469 0.70 MAPT (0.67) POLBKMT2AMEN1KDM4EMAPT
SCHEMBL18704471 0.70 MAPT (0.67) POLBKMT2AMEN1KDM4EMAPT
SCHEMBL8291377 0.69 KMT2A (1.00) POLBMMP10MMP13KMT2AMEN1
SCHEMBL30018123 0.69 MAPT (1.00) POLBMMP10MMP13KMT2AMEN1
SCHEMBL22639804 0.68 MAPT (0.62) POLBMMP10MMP13KMT2AMEN1
SCHEMBL26030541 0.68 MAPT (0.65) POLBKMT2AMEN1CFTRBLM
SCHEMBL5458054 0.67 MMP10 (0.67) POLBMMP10MMP13KMT2AMEN1
SCHEMBL5458057 0.67 MMP10 (0.67) POLBMMP10MMP13KMT2AMEN1
SCHEMBL29406085 0.67 STAT3 (1.00) POLBKMT2AMEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 — — US disclosed
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 — — US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 — — US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 — — US 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 (2 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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 POLB 4819/4885MMP10 2471/4885MMP13 657/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 POLB 4795/4885MMP10 3419/4885MMP13 1160/4885

“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.

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