SCHEMBL20183796

SCHEMBL20183796

CCn1c(=O)cc(C(C)C)c2cc(N(C)C(=O)c3ccc(N)cc3O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HSP90AA1 P07900 6/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
PDK2 Q15119 2/20 0.35
MAPT P10636 5/20 0.35
TP53 P04637 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34

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
SCHEMBL20183606 0.89 ALOX15 (0.45) RORCKDM4EHSP90AA1HDAC3HDAC1
SCHEMBL20354219 0.89 ALDH1A1 (0.39) RORCKDM4EHSP90AA1HDAC3HDAC1
SCHEMBL20183728 0.86 MAPT (0.40) RORCKDM4EHSP90AA1MAPTTP53
SCHEMBL20183567 0.86 RORC (0.43) RORCKDM4EMAPTTP53ALDH1A1
SCHEMBL20183674 0.86 TP53 (0.38) RORCKDM4EHSP90AA1MAPTTP53
SCHEMBL20183598 0.86 RORC (0.38) RORCKDM4EMAPTTP53ALDH1A1
SCHEMBL20183608 0.86 RORC (0.38) RORCKDM4EHSP90AA1MAPTTP53
SCHEMBL20183737 0.84 RORC (0.37) RORCKDM4EHSP90AA1MAPTTP53
SCHEMBL20183816 0.83 RORC (0.39) RORCKDM4EHSP90AA1HDAC3HDAC1
SCHEMBL20183514 0.83 ALDH1A1 (0.37) RORCKDM4EMAPTTP53ALDH1A1

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 12 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
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-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 RORC 2166/4885KDM4E 1027/4885HSP90AA1 1353/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 RORC 2610/4885KDM4E 3906/4885HSP90AA1 3443/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 RORC 2166/4885KDM4E 1027/4885HSP90AA1 1353/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 RORC 2610/4885KDM4E 3906/4885HSP90AA1 3443/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 RORC 2295/4885KDM4E 3627/4885HSP90AA1 2888/4885

“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.