SCHEMBL20183756

SCHEMBL20183756

CCn1c(=O)cc(C(C)C)c2cc(N(C)C(=O)c3ccc(Cl)c(OCCCO)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
HSP90AA1 P07900 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 5/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TSHR P16473 1/20 0.33
MCHR1 Q99705 2/20 0.33
RORC P51449 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL20183695 0.93 TP53 (0.39) TP53MAPTHSP90AA1POLBSMN1; SMN2
SCHEMBL20195137 0.91 TP53 (0.37) TP53MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL20183517 0.90 RXFP1 (0.40) TP53MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL20183857 0.86 RXFP1 (0.40) TP53MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL20183790 0.85 TP53 (0.40) TP53MAPTHSP90AA1POLBSMN1; SMN2
SCHEMBL20183556 0.83 RORC (0.38) TP53MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL20183599 0.83 MAPT (0.35) TP53MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL20183809 0.82 MAPT (0.40) TP53MAPTHSP90AA1POLBSMN1; SMN2
SCHEMBL20183774 0.82 RORC (0.36) TP53MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL21473969 0.80 DRD3 (0.38) TP53MAPTSMN1; SMN2RXFP1RORC

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 15 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
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 TP53 94/4885MAPT 3928/4885HSP90AA1 1353/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 TP53 1844/4885MAPT 4325/4885HSP90AA1 3443/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 TP53 94/4885MAPT 3928/4885HSP90AA1 1353/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 TP53 1844/4885MAPT 4325/4885HSP90AA1 3443/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 TP53 1821/4885MAPT 4406/4885HSP90AA1 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.