SCHEMBL20183728

SCHEMBL20183728

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
RORC P51449 2/20 0.38
NPY5R Q15761 1/20 0.34
CASR P41180 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 4/20 0.32
RORA P35398 1/20 0.32
RORB Q92753 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TSHR P16473 1/20 0.32
PKM P14618 1/20 0.31
POLB P06746 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
HPGD P15428 1/20 0.30
HTR3E A5X5Y0 1/20 0.30

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
SCHEMBL20183598 0.91 RORC (0.38) MAPTTP53RORCNPY5RSMN1; SMN2
SCHEMBL20183674 0.90 TP53 (0.38) MAPTTP53RORCNPY5RSMN1; SMN2
SCHEMBL20183608 0.90 RORC (0.38) MAPTTP53RORCNPY5RSMN1; SMN2
SCHEMBL20183567 0.88 RORC (0.43) MAPTTP53RORCNPY5RSMN1; SMN2
SCHEMBL20183737 0.88 RORC (0.37) MAPTTP53RORCNPY5RSMN1; SMN2
SCHEMBL20183514 0.87 ALDH1A1 (0.37) MAPTTP53RORCNPY5RSMN1; SMN2
SCHEMBL20183796 0.86 RORC (0.38) MAPTTP53RORCNPY5RSMN1; SMN2
SCHEMBL20183679 0.86 TP53 (0.38) MAPTTP53RORCNPY5RCASR
SCHEMBL20183662 0.86 RORC (0.36) MAPTTP53RORCNPY5RSMN1; SMN2
SCHEMBL22625728 0.86 TP53 (0.39) MAPTTP53RORCNPY5RCASR

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 MAPT 3928/4885TP53 94/4885RORC 2166/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 MAPT 4325/4885TP53 1844/4885RORC 2610/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 MAPT 3928/4885TP53 94/4885RORC 2166/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 MAPT 4325/4885TP53 1844/4885RORC 2610/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 MAPT 4406/4885TP53 1821/4885RORC 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.