SCHEMBL5337178

SCHEMBL5337178

CC1(C)CC(=O)NN=C1c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
GALR3 O60755 3/20 0.59
THRB P10828 1/20 0.59
TDP1 Q9NUW8 4/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 3/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
SLFN12 Q8IYM2 1/20 0.39
MAPK1 P28482 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL11357370 0.86 MAPT (0.44) MAPTGALR3THRBKMT2ANPSR1
SCHEMBL11367905 0.86 MAPT (0.44) MAPTGALR3THRBMEN1KMT2A
SCHEMBL6400028 0.84 PDE4B (0.48) MAPTGALR3THRBTDP1MEN1
SCHEMBL9571268 0.83 HRH3 (0.45) MAPTGALR3THRBTDP1MEN1
SCHEMBL11366945 0.78 HRH3 (0.42) MAPTGALR3THRBMEN1KMT2A
SCHEMBL6401437 0.78 PDE3B (0.42) MAPTGALR3THRBALDH1A1PDE3B
SCHEMBL5184219 0.77 HRH3 (0.46) MAPTGALR3THRBCYP3A4PDE3B
SCHEMBL6400233 0.76 PDE4B (0.52) TDP1TSHRALDH1A1CYP3A4LMNA
SCHEMBL10333086 0.75 MAPT (0.59) MAPTGALR3THRBTDP1MEN1
SCHEMBL14491901 0.75 HRH3 (0.42) MAPTGALR3THRBPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060605-A1 Compositions and methods for inhibiting platelet activation and thrombosis FLAUMENHAFT ROBERT C 2007-03-15 US disclosed
US-7166612-B2 Methods for reducing platelet activation platelet aggregaton or thrombosis BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2007-01-23 US disclosed
US-20040147540-A1 Compositions and methods for inhibiting platelet activation and thrombosis BETH ISRAEL DEACONESS MEDICAL CENTER 2004-07-29 US disclosed
EP-1406621-A2 COMPOSITIONS AND METHODS FOR INHIBITING PLATELET ACTIVATION AND THROMBOSIS Beth Israel Deaconess Medical Center (US) 2004-04-14 EP disclosed
WO-2003001968-A2 COMPOSITIONS AND METHODS FOR INHIBITING PLATELET ACTIVATION AND THROMBOSIS BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2003-01-09 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 (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-20070060605-A1 Compositions and methods for inhibiting platelet activation and thrombosis PLA2G7, PLTP, PLAAT2 MAPT 4507/4885GALR3 3340/4885THRB 3454/4885
US-20040147540-A1 Compositions and methods for inhibiting platelet activation and thrombosis PLA2G7, PLTP, PLAAT2 MAPT 4507/4885GALR3 3340/4885THRB 3454/4885

“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.