SCHEMBL1752348

SCHEMBL1752348

O=C(Nc1cccc(Br)c1)C1CCCN1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 1/20 0.58
CASP6 P55212 1/20 0.58
CASP8 Q14790 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PSMB8 P28062 2/20 0.53
TERT O14746 1/20 0.49
ULK1 O75385 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
ITGA2B P08514 1/20 0.48
SCN3A Q9NY46 2/20 0.48
SCN9A Q15858 2/20 0.48
TP53 P04637 1/20 0.46
KHK P50053 1/20 0.46
GAA P10253 1/20 0.46
TGM2 P21980 1/20 0.46
MBTD1 Q05BQ5 1/20 0.45
F2R P25116 1/20 0.45

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
Hydrochloric Acid SCHEMBL14335457 0.89 GRK2 (0.49) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL13976886 0.84 PSMB8 (0.54) PSMB8TERTULK1ITGB3ITGAV
SCHEMBL1751079 0.83 PSMB8 (0.53) PSMB8TERTULK1ITGB3ITGAV
SCHEMBL12295117 0.83 NPSR1 (0.63) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL15773341 0.83 PSMB8 (0.53) PSMB8TERTULK1ITGB3ITGAV
SCHEMBL17676960 0.83 NPSR1 (0.63) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL31122583 0.83 NPSR1 (0.63) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL29697282 0.83 NPSR1 (0.63) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL10326684 0.83 NPSR1 (0.63) PSMB8ULK1ITGB3ITGAVITGA2B
SCHEMBL17153937 0.82 HDAC4 (0.63) L3MBTL1TERTGAA

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 GRK2 2437/4885CASP6 2636/4885CASP8 2435/4885

“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.