Sugi Predict

Sugi Predict / Compounds / SCHEMBL11909441

SCHEMBL11909441

SCHEMBL11909441

COc1ccc(N2CCCC(NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.51
▸ RECQL P46063 1/20 0.51
▸ ALDH1A1 P00352 11/20 0.49
▸ MAPK1 P28482 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ BTK Q06187 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
SCHEMBL28560897 1.00 MAPT (0.51) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL4439231 0.89 MAPT (0.55) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL4434482 0.89 POLB (0.48) MAPTALDH1A1LMNAGAAPOLB
SCHEMBL4436306 0.88 MAPK1 (0.55) MAPTALDH1A1MAPK1LMNAGAA
SCHEMBL28913476 0.88 MAPT (0.49) MAPTALDH1A1LMNAGAAPOLB
SCHEMBL28913479 0.88 MAPT (0.49) MAPTALDH1A1LMNAGAAPOLB
SCHEMBL4436140 0.87 POLB (0.54) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL10188551 0.87 MAPT (0.58) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL2976956 0.86 LMNA (0.63) MAPTALDH1A1MAPK1LMNAGAA
SCHEMBL2976958 0.86 LMNA (0.63) MAPTALDH1A1MAPK1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 — — US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 — — US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 — — US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 — — US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 — — US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 — — US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 — — EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 — — 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 (2 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 4106/4885RECQL 4079/4885ALDH1A1 2176/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 4106/4885RECQL 4079/4885ALDH1A1 2176/4885

“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.