SCHEMBL16268317

SCHEMBL16268317

CNc1cc(Br)cc(OC)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR9 Q9NR96 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
PKM P14618 2/20 0.38
TDP1 Q9NUW8 4/20 0.37

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
SCHEMBL1000100 0.84 PKM (0.45) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL30038671 0.82 MAPK1 (0.44) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL14387490 0.80 ALOX15 (0.42) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL30424951 0.78 MAPT (0.42) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL16244483 0.78 MAPT (0.42) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL27255556 0.77 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL30038303 0.77 MAPT (0.43) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL31160116 0.77 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL27162819 0.77 MAPT (0.37) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL30039907 0.77 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3412675-A1 IMIDAZOPYRROLIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2018-12-12 EP disclosed
US-9890166-B2 Imidazopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2018-02-13 US disclosed
EP-3004108-B1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-10-18 EP disclosed
US-9624247-B2 Pyrazolo-pyrrolidin-4-one derivatives as bet inhibitors and their use in the treatment of disease NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20160108047-A1 IMIDAZOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
US-20160102107-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-14 US disclosed
EP-3004108-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2016-04-13 EP disclosed
EP-3004109-A1 IMIDAZOPYRROLIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2016-04-13 EP disclosed
WO-2014191906-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-12-04 WO disclosed
WO-2014191894-A1 IMIDAZOPYRROLIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-12-04 WO 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-20160108047-A1 IMIDAZOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE TPMT, REN, IL5 MAPT 1394/4885ALDH1A1 401/4885MEN1 1363/4885
US-20160102107-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE BET1, BRD4, PHKB MAPT 863/4885ALDH1A1 2852/4885MEN1 2367/4885

“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.