SCHEMBL5335003

SCHEMBL5335003

CC1(C)CC(=O)NN=C1c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
RECQL P46063 1/20 0.41
MAOB P27338 3/20 0.40
ALPL P05186 1/20 0.40
PDE4B Q07343 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALPG P10696 1/20 0.36
ALOX12 P18054 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL5184219 0.84 HRH3 (0.46) HRH3PDE4BMAPK1MAPTTDP2
SCHEMBL14600407 0.83 AXL (0.47) HRH3PDE4BGPR119LMNASMN1; SMN2
SCHEMBL6401437 0.80 PDE3B (0.42) HRH3PDE4BSMN1; SMN2ALDH1A1MAPT
SCHEMBL9571268 0.78 HRH3 (0.45) HRH3PDE4BGAAKMT2AMAPK1
SCHEMBL7272141 0.77 HRH3 (0.44) HRH3PDE4BLMNAPOLBPTGS2
SCHEMBL11367905 0.76 MAPT (0.44) HRH3GAAKMT2AMAPK1MEN1
SCHEMBL16150009 0.75 PDE3A (0.55) RECQLALPLPDE4BKMT2AMAPK1
SCHEMBL11366945 0.74 HRH3 (0.42) HRH3RECQLPDE4BGPR119GAA
SCHEMBL5183009 0.73 TDP2 (0.41) HRH3PDE4BMEN1TDP2PDE3B
SCHEMBL6400233 0.72 PDE4B (0.52) HRH3PDE4BMAPK1LMNAALDH1A1

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 HRH3 3183/4885RECQL 4373/4885MAOB 2204/4885
US-20040147540-A1 Compositions and methods for inhibiting platelet activation and thrombosis PLA2G7, PLTP, PLAAT2 HRH3 3183/4885RECQL 4373/4885MAOB 2204/4885

“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.