SCHEMBL20183644

SCHEMBL20183644

CCn1c(=O)cc(N2CCOCC2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.48
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 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
SCHEMBL20183547 0.82 GAA (0.47) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL20354266 0.82 PRKDC (0.54) LMNAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL20183597 0.81 GAA (0.46) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL20354153 0.79 KMT2A (0.46) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL20183823 0.77 GAA (0.43) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL17505182 0.76 MAPT (0.62) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL20183852 0.76 PRKDC (0.47) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL20183779 0.75 MAPT (0.60) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL29539965 0.74 MAPT (0.85) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL148001 0.74 MAPT (0.85) LMNAKMT2AMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137505-B Nitrogen-containing heterocyclic compound 富士胶片株式会社 2021-07-06 CN disclosed
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
US-10987349-B2 Antitumor agent and bromodomain inhibitor FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
EP-3563851-B1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORP (JP) 2021-04-21 EP disclosed
EP-3327004-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2020-11-04 EP disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 US disclosed
US-10633343-B2 2020-04-28 US disclosed
US-10633343-B2 2020-04-28 US disclosed
EP-3563851-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM Corporation (JP) 2019-11-06 EP disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR FUJIFILM CORPORATION (JP) 2019-10-17 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORPORATION (JP) 2019-03-14 US disclosed
WO-2018124180-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR 富士フイルム株式会社 2018-07-05 WO disclosed
EP-3327004-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Fujifilm Corporation (JP) 2018-05-30 EP 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 (5 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-10987349-B2 Antitumor agent and bromodomain inhibitor BRD4, BRD1, BRD3 LMNA 1830/4885KMT2A 359/4885MAPT 3928/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 LMNA 2949/4885KMT2A 3299/4885MAPT 4325/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 LMNA 1830/4885KMT2A 359/4885MAPT 3928/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 LMNA 2949/4885KMT2A 3299/4885MAPT 4325/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 LMNA 3356/4885KMT2A 3171/4885MAPT 4406/4885

“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.