SCHEMBL20183793

SCHEMBL20183793

CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(C4CC4)cc3N)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.36
ALDH1A1 P00352 8/20 0.34
RORC P51449 1/20 0.34
KDM4E B2RXH2 4/20 0.33
TSHR P16473 4/20 0.33
HPGD P15428 3/20 0.33
NPY5R Q15761 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
FABP4 P15090 1/20 0.32
USP2 O75604 1/20 0.31
UBE2N P61088 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL20806146 0.91 TP53 (0.35) ALDH1A1RORCKDM4ETSHRHPGD
SCHEMBL20183580 0.90 PER2 (0.35) ALDH1A1RORCKDM4ETSHRHPGD
SCHEMBL20183755 0.90 NPY5R (0.34) HSP90AA1ALDH1A1RORCKDM4ETSHR
SCHEMBL20183742 0.89 ALDH1A1 (0.38) ALDH1A1RORCKDM4ETSHRHPGD
SCHEMBL20183844 0.88 NPY5R (0.35) HSP90AA1ALDH1A1RORCKDM4ETSHR
SCHEMBL20183662 0.88 RORC (0.36) HSP90AA1ALDH1A1RORCKDM4ETSHR
SCHEMBL20183679 0.88 TP53 (0.38) ALDH1A1RORCKDM4ETSHRHPGD
SCHEMBL20183692 0.88 PDE4A (0.36) ALDH1A1RORCKDM4EHPGDNPY5R
SCHEMBL20183718 0.86 NPY5R (0.34) HSP90AA1ALDH1A1RORCKDM4ETSHR
SCHEMBL20183680 0.85 MCHR1 (0.39) HSP90AA1ALDH1A1RORCKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HSP90AA1 1353/4885ALDH1A1 3243/4885RORC 2166/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 HSP90AA1 3443/4885ALDH1A1 3095/4885RORC 2610/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 HSP90AA1 1353/4885ALDH1A1 3243/4885RORC 2166/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 HSP90AA1 3443/4885ALDH1A1 3095/4885RORC 2610/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 HSP90AA1 2888/4885ALDH1A1 2674/4885RORC 2295/4885

“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.