SCHEMBL10076281

SCHEMBL10076281

O=C(O)c1c[nH]c(CCCc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
HDAC2 Q92769 2/20 0.43
HDAC1 Q13547 1/20 0.43
BRS3 P32247 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CES1 P23141 1/20 0.40
RARB P10826 1/20 0.40
PPARG P37231 1/20 0.40
MMP12 P39900 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL948426 0.82 RNASEH1 (0.49) FFAR1BRS3CES1
SCHEMBL948656 0.74 HCAR2 (0.49) HRH3
SCHEMBL22777750 0.73 MCL1 (0.49) FFAR1
SCHEMBL4822610 0.73 GSK3B (0.51) HRH4HRH3
SCHEMBL951471 0.72 DAO (0.45) FFAR1HDAC1
SCHEMBL10076277 0.72 MMP1 (0.59) FFAR1HDAC2HDAC1
Ammonia Solution, Strong SCHEMBL27564877 0.72 GSK3B (0.50) HRH4HRH3
SCHEMBL11119674 0.71 HTR7 (0.36) HRH4HRH3
SCHEMBL9826765 0.69 HTR2A (0.62) FFAR1HDAC2HDAC1MMP12
SCHEMBL1080850 0.69 PIN1 (0.47)

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 6 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
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
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 FFAR1 1443/4885HDAC2 297/4885HDAC1 156/4885

“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.