SCHEMBL490765

SCHEMBL490765

N[C@H](CCOc1ccc(Br)cc1)C(=O)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LSS P48449 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1147939 1.00 SMN1; SMN2 (0.43) SMN1; SMN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL13743683 0.88 NFE2L2 (0.47) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL10143862 0.88 NFE2L2 (0.47) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5324639 0.83 MAPT (0.47) SMN1; SMN2ALDH1A1KDM4EKMT2AGAA
SCHEMBL5324642 0.83 MAPT (0.47) SMN1; SMN2ALDH1A1KDM4EKMT2AGAA
SCHEMBL14196755 0.81 MEN1 (0.51) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL191992 0.79 HDAC1 (0.48) ALDH1A1HTT
SCHEMBL191993 0.79 HDAC1 (0.48) ALDH1A1HTT
SCHEMBL27847048 0.76 ITGB3 (0.49) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10052884 0.76 CACNA1B (0.60) SMN1; SMN2ALDH1A1MAPTHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 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-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK SMN1; SMN2 3405/4885MAPK13 412/4885MAPK12 805/4885

“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.