SCHEMBL20183695

SCHEMBL20183695

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
HSP90AA1 P07900 3/20 0.39
POLB P06746 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MCHR1 Q99705 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL20183756 0.93 TP53 (0.38) TP53MAPTHSP90AA1POLBALDH1A1
SCHEMBL20183517 0.89 RXFP1 (0.40) TP53MAPTPOLBALDH1A1MCHR1
SCHEMBL20183857 0.85 RXFP1 (0.40) TP53MAPTPOLBALDH1A1MCHR1
SCHEMBL21473969 0.85 DRD3 (0.38) TP53MAPTTHRBSMN1; SMN2HPGD
SCHEMBL20195137 0.83 TP53 (0.37) TP53MAPTPOLBALDH1A1MCHR1
SCHEMBL20183556 0.83 RORC (0.38) TP53MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL20183809 0.81 MAPT (0.40) TP53MAPTHSP90AA1POLBALDH1A1
SCHEMBL20183774 0.81 RORC (0.36) TP53MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL20183650 0.80 ALDH1A1 (0.41) TP53MAPTHSP90AA1POLBALDH1A1
SCHEMBL20183854 0.79 ALDH1A1 (0.42) TP53MAPTPOLBTHRBALDH1A1

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 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.