SCHEMBL11908030

SCHEMBL11908030

COC(=O)C1CCCN(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 3/20 0.52
MEN1 O00255 3/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.52
S100A4 P26447 1/20 0.52
RECQL P46063 1/20 0.52
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.48
CTSB P07858 1/20 0.46
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PBK Q96KB5 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL15873243 0.82 MAPT (0.46) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL4444188 0.82 MAPT (0.46) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL4443908 0.82 MAPT (0.46) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL15873245 0.82 MAPT (0.46) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL4435478 0.81 LMNA (0.59) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL4436851 0.81 LMNA (0.59) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL4435482 0.81 LMNA (0.59) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL27775555 0.80 MAPT (0.43) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL28070539 0.79 MAPT (0.45) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL31302481 0.79 MAPT (0.45) MAPTALDH1A1KMT2AHTTMEN1

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-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 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-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 4106/4885ALDH1A1 2176/4885KMT2A 981/4885

“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.