SCHEMBL20183790

SCHEMBL20183790

CCn1c(=O)cc(C(C)C)c2cc(N(C)C(=O)c3ccc(Cl)cc3OCCCO)ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.38
HSP90AA1 P07900 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.36
RORC P51449 1/20 0.35
THRB P10828 1/20 0.34
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 2/20 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
SCHEMBL20183775 0.89 TSHR (0.42) TP53POLBMAPTHSP90AA1SMN1; SMN2
SCHEMBL20183756 0.85 TP53 (0.38) TP53POLBMAPTHSP90AA1SMN1; SMN2
SCHEMBL20354219 0.84 ALDH1A1 (0.39) TP53POLBMAPTHSP90AA1SMN1; SMN2
SCHEMBL20183674 0.83 TP53 (0.38) TP53POLBMAPTHSP90AA1SMN1; SMN2
SCHEMBL20195137 0.82 TP53 (0.37) TP53POLBMAPTSMN1; SMN2LMNA
SCHEMBL20183698 0.82 TP53 (0.35) TP53POLBMAPTHSP90AA1SMN1; SMN2
SCHEMBL20183809 0.80 MAPT (0.40) TP53POLBMAPTHSP90AA1SMN1; SMN2
SCHEMBL20183738 0.78 TP53 (0.35) TP53POLBMAPTHSP90AA1SMN1; SMN2
SCHEMBL20183854 0.78 ALDH1A1 (0.42) TP53POLBMAPTSMN1; SMN2LMNA
SCHEMBL20183695 0.78 TP53 (0.39) TP53POLBMAPTHSP90AA1SMN1; SMN2

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 94/4885POLB 2400/4885MAPT 3928/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 TP53 1844/4885POLB 2919/4885MAPT 4325/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 TP53 94/4885POLB 2400/4885MAPT 3928/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 TP53 1844/4885POLB 2919/4885MAPT 4325/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 TP53 1821/4885POLB 3220/4885MAPT 4406/4885

“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.