SCHEMBL3589008

SCHEMBL3589008

CCOC(=O)CO[N+]1(C(=O)[C@H](Cc2ccc(O)cc2)N2Cc3cc(C(=N)NO)ccc3C2=O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
THRB P10828 1/20 0.39
SDCBP O00560 6/20 0.38
SDC2 P34741 6/20 0.38
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 4/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL2009031 0.79 ITGB3 (0.56) NPC1RAB9ATHRBSDCBPSDC2
SCHEMBL2011706 0.70 ALOX15 (0.47) KMT2AMEN1MAPTALDH1A1ITGB3
SCHEMBL2009033 0.69 ITGB3 (0.46) KMT2AMEN1MAPTITGB3ITGA2B
SCHEMBL2005612 0.67 ITGB3 (0.56) NPC1RAB9ATHRBSDCBPSDC2
SCHEMBL2008739 0.66 ITGB3 (0.41) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL2009666 0.65 ITGB3 (0.38) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL2008615 0.65 ITGB3 (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2012100 0.65 HPGD (0.45) NPC1KMT2AMEN1ALDH1A1GAA
SCHEMBL2007548 0.64 ITGB3 (0.37) KMT2AMEN1ALDH1A1ITGB3ITGA2B
SCHEMBL2011006 0.64 GAA (0.37) KMT2AMEN1MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 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-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 NPC1 4226/4885RAB9A 2816/4885THRB 524/4885

“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.