SCHEMBL4127422

SCHEMBL4127422

C[C@@H]1C=C(c2ccncc2[N+](=O)[O-])CC[C@H]1OS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TXNRD1 Q16881 2/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL16587813 0.81 MEN1 (0.33) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL1711066 0.80 GPR119 (0.37) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL2694440 0.79 BRS3 (0.34) MEN1KMT2A
SCHEMBL11912165 0.79 BRS3 (0.34) MEN1KMT2A
SCHEMBL13458326 0.75 MEN1 (0.40) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL13458086 0.72 MEN1 (0.41) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL16587826 0.72 MEN1 (0.32) MEN1KMT2AHTTGAATXNRD1
SCHEMBL17221080 0.72 KMT2A (0.39) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL17221079 0.72 KMT2A (0.39) MEN1KMT2AHTTGAAALDH1A1
SCHEMBL16587820 0.71 HTT (0.37) MEN1KMT2AHTTGAAALDH1A1

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-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 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-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 MEN1 3664/4885KMT2A 1446/4885HTT 3844/4885

“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.