SCHEMBL1751079

SCHEMBL1751079

O=C(Nc1cccc(I)c1)C1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.53
ULK1 O75385 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
ITGA2B P08514 1/20 0.48
SCN9A Q15858 2/20 0.48
TERT O14746 1/20 0.46
KHK P50053 1/20 0.46
SCN3A Q9NY46 2/20 0.46
PARP1 P09874 1/20 0.45
DHODH Q02127 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ROCK2 O75116 2/20 0.42
AAK1 Q2M2I8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL15773341 1.00 PSMB8 (0.53) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL13976886 0.84 PSMB8 (0.54) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL17676960 0.83 NPSR1 (0.63) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL31122583 0.83 NPSR1 (0.63) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL1752348 0.83 GRK2 (0.58) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL12295117 0.83 NPSR1 (0.63) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL10326684 0.83 NPSR1 (0.63) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL29697282 0.83 NPSR1 (0.63) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL1751199 0.82 SCN3A (0.55) PSMB8ULK1SCN9ATERTKHK
SCHEMBL17676965 0.82 SCN9A (0.54) PSMB8ULK1ITGB3ITGAVITGA2B

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-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 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-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 PSMB8 2758/4885ULK1 4641/4885ITGB3 4215/4885

“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.