SCHEMBL20183779

SCHEMBL20183779

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KMT2A Q03164 6/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 1/20 0.57
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
AGTR1 P30556 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR9 Q9NR96 1/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL17505182 0.84 MAPT (0.62) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL20568364 0.83 PLA2G2A (0.55) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL148001 0.82 MAPT (0.85) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL29539965 0.82 MAPT (0.85) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL20568859 0.82 MAPT (0.43) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL20568611 0.81 MAPT (0.57) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL31169742 0.81 MAPT (0.57) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL23610660 0.80 MAPT (0.41) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL20568857 0.80 MAPT (0.43) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL20568617 0.80 F2RL3 (0.48) MAPTKMT2AMEN1LMNACYP1A2

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 MAPT 3928/4885KMT2A 359/4885MEN1 1349/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 MAPT 4325/4885KMT2A 3299/4885MEN1 524/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 MAPT 3928/4885KMT2A 359/4885MEN1 1349/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 MAPT 4325/4885KMT2A 3299/4885MEN1 524/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 MAPT 4406/4885KMT2A 3171/4885MEN1 953/4885

“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.