SCHEMBL12860010

SCHEMBL12860010

COC(=O)[C@]1([N+](=O)[O-])C[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
LIG1 P18858 1/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
AURKA O14965 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
SLC6A2 P23975 3/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PTPRF P10586 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
SCHEMBL545342 0.86 KMT2A (0.43) GAAKDM1ALMNAALDH1A1AURKA
SCHEMBL544774 0.85 GAA (0.42) GAAKDM1ARCOR1LMNAALDH1A1
SCHEMBL545374 0.85 RORC (0.42) GAALIG1KDM1ARCOR1LMNA
SCHEMBL12860013 0.82 LIG1 (0.40) GAALIG1KDM1ARCOR1LMNA
SCHEMBL2797226 0.80 MAPT (0.40) GAAKDM1ARCOR1LMNAALDH1A1
SCHEMBL28885346 0.76 KDM1A (0.41) LIG1KDM1ARCOR1LMNAALDH1A1
SCHEMBL8039628 0.75 TSHR (0.47) LIG1KDM1ARCOR1LMNAALDH1A1
SCHEMBL544652 0.74 GAA (0.43) GAALMNAALDH1A1TSHR
SCHEMBL8039426 0.74 KDM1A (0.46) LIG1KDM1ARCOR1LMNAALDH1A1
SCHEMBL12383191 0.74 KDM1A (0.46) LIG1KDM1ARCOR1LMNAALDH1A1

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-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 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-20110039851-A1 CCR10 ANTAGONISTS CCR10, CCR1, CCR4 GAA 4041/4885LIG1 2507/4885KDM1A 1912/4885

“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.