SCHEMBL13433693

SCHEMBL13433693

CC(C(=N)N)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.71
PTGS2 P35354 5/20 0.71
MAPT P10636 5/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
ALDH1A1 P00352 3/20 0.71
LMNA P02545 3/20 0.71
CXCR1 P25024 2/20 0.71
CXCR2 P25025 2/20 0.71
CYP3A4 P08684 2/20 0.71
RECQL P46063 1/20 0.71
KDM4E B2RXH2 1/20 0.71
HPGD P15428 1/20 0.71
MAPK1 P28482 1/20 0.71
PMP22 Q01453 1/20 0.71
SLC22A6 Q4U2R8 1/20 0.71
HSD17B10 Q99714 1/20 0.71
CXCL8 P10145 1/20 0.71
THPO P40225 1/20 0.71
HIF1A Q16665 1/20 0.71
HTT P42858 3/20 0.56

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
SCHEMBL2336917 1.00 PTGS1 (0.71) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
SCHEMBL2336923 1.00 PTGS1 (0.71) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1383834 0.98 PTGS1 (0.69) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1383837 0.98 PTGS1 (0.69) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL17763383 0.89 PTGS1 (0.85) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL16343112 0.89 PTGS1 (0.85) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7040464 0.87 MAPT (0.76) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
SCHEMBL1887586 0.87 MAPT (0.76) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
SCHEMBL31318264 0.87 MAPT (0.76) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1
SCHEMBL1887588 0.87 MAPT (0.76) PTGS1PTGS2MAPTSMN1; SMN2ALDH1A1

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-7674806-B2 Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-03-09 US disclosed
US-7674806-B2 Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-03-09 US disclosed
US-20070155717-A1 Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A (IT) 2007-07-05 US disclosed
US-20070155717-A1 Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A (IT) 2007-07-05 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 (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-20070155717-A1 Amidines and derivatives thereof and pharmaceutical compositions containing them MMP8, CXCL8, MPO PTGS1 223/4885PTGS2 370/4885MAPT 2897/4885

“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.