SCHEMBL9937698

SCHEMBL9937698

Fc1ccc(CNCc2ccc(OCc3cccnc3)cc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.73
ALDH1A1 P00352 4/20 0.64
POLB P06746 2/20 0.64
TP53 P04637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
MMP13 P45452 1/20 0.60
BCHE P06276 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL10559908 0.85 CYP1A2 (0.75) MAPK1ALDH1A1POLBTP53TDP1
SCHEMBL14197910 0.82 MAPK1 (0.67) MAPK1ALDH1A1POLBTP53TDP1
SCHEMBL28048524 0.82 MAPK1 (0.64) MAPK1ALDH1A1POLBTP53TDP1
SCHEMBL31307732 0.80 MAPK1 (0.76) MAPK1ALDH1A1POLBTP53TDP1
SCHEMBL3428344 0.79 MAPK1 (0.70) MAPK1ALDH1A1POLBTP53TDP1
SCHEMBL7154078 0.77 RAB9A (0.61) MAPK1SMN1; SMN2NPSR1
SCHEMBL10054984 0.77 CYP1A2 (0.91) MAPK1ALDH1A1POLBTP53TDP1
SCHEMBL8361588 0.76 MAPK1 (0.58) MAPK1ALDH1A1POLBTP53TDP1
SCHEMBL5392025 0.76 MAPK1 (0.58) MAPK1ALDH1A1POLBTP53TDP1
SCHEMBL7311175 0.75 MAPK1 (0.65) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651413-B1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES PHARMAHUNGARY 2000 KFT (HU) 2017-11-22 EP disclosed
EP-2651413-B1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES PHARMAHUNGARY 2000 KFT (HU) 2017-11-22 EP disclosed
US-9487462-B2 Inhibitors of matrix metalloproteinases PHARMAHUNGARY 2000 KFT. (HU) 2016-11-08 US disclosed
US-9487462-B2 Inhibitors of matrix metalloproteinases PHARMAHUNGARY 2000 KFT. (HU) 2016-11-08 US disclosed
US-9487462-B2 Inhibitors of matrix metalloproteinases PHARMAHUNGARY 2000 KFT. (HU) 2016-11-08 US disclosed
US-20130303572-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES TARGETEX KFT. (HU) 2013-11-14 US disclosed
US-20130303572-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES TARGETEX KFT. (HU) 2013-11-14 US disclosed
US-20130303572-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES TARGETEX KFT. (HU) 2013-11-14 US disclosed
EP-2651413-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES Pharmahungary 2000 Kft. (HU) 2013-10-23 EP disclosed
WO-2012080762-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES PHARMAHUNGARY 2000 KFT. (HU) 2012-06-21 WO disclosed
WO-2012080762-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES PHARMAHUNGARY 2000 KFT. (HU) 2012-06-21 WO 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-20130303572-A1 NOVEL INHIBITORS OF MATRIX METALLOPROTEINASES TIMP3, MMP3, MMP13 MAPK1 1944/4885ALDH1A1 1629/4885POLB 2653/4885

“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.