SCHEMBL4600461

SCHEMBL4600461

NCCCCC(NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
KDM4E B2RXH2 1/20 0.49
GPR34 Q9UPC5 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
C3AR1 Q16581 2/20 0.46

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
SCHEMBL4600451 1.00 ALDH1A1 (0.54) ALDH1A1ITGB3ITGA2BKDM4EGPR34
SCHEMBL9752048 0.87 KMT2A (0.57) ALDH1A1ITGB3ITGA2BHTTRAB9A
SCHEMBL4600543 0.86 GPR34 (0.57) ALDH1A1ITGB3ITGA2BGPR34
SCHEMBL4600549 0.86 GPR34 (0.57) ALDH1A1ITGB3ITGA2BGPR34
SCHEMBL4599294 0.86 FOLH1 (0.49) ALDH1A1ITGB3ITGA2BKDM4EGPR34
SCHEMBL4599881 0.86 GPR34 (0.54) ALDH1A1ITGB3ITGA2BGPR34SMN1; SMN2
SCHEMBL4599884 0.86 GPR34 (0.54) ALDH1A1ITGB3ITGA2BGPR34SMN1; SMN2
SCHEMBL4599289 0.86 FOLH1 (0.49) ALDH1A1ITGB3ITGA2BKDM4EGPR34
SCHEMBL4739869 0.83 GPR34 (0.48) ALDH1A1GPR34SMN1; SMN2GAAC3AR1
SCHEMBL4600018 0.83 LTA4H (0.48) ITGB3ITGA2B

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 ALDH1A1 1732/4885ITGB3 1550/4885ITGA2B 2449/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH ALDH1A1 2546/4885ITGB3 4006/4885ITGA2B 3909/4885

“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.