SCHEMBL20183553

SCHEMBL20183553

CCn1c(=O)cc(C(C)C)c2cc(C(=O)N(C)c3ccc(C)cc3C(=O)NC(C)C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
RORC P51449 1/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 3/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 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
SCHEMBL20183799 0.90 THRB (0.37) ALDH1A1KDM4ERORCTHRBMAPT
SCHEMBL20183721 0.89 MEN1 (0.41) ALDH1A1KDM4EHTTRORCTHRB
SCHEMBL20183835 0.85 KDM4E (0.35) ALDH1A1KDM4EHTTRORCMAPT
SCHEMBL20183777 0.84 THRB (0.39) ALDH1A1KDM4ERORCTHRBMAPT
SCHEMBL20183868 0.83 RAB9A (0.35) ALDH1A1KDM4EHTTRORCTHRB
SCHEMBL20183586 0.83 THRB (0.36) ALDH1A1KDM4ERORCTHRBMAPT
SCHEMBL20354318 0.82 KDM4E (0.42) KDM4ERORCMAPTTP53POLB
SCHEMBL20183540 0.79 HSD17B1 (0.46) KDM4ERORCTHRBMAPTTP53
SCHEMBL21549481 0.78 RORC (0.39) KDM4ERORCTHRBMAPTTP53
SCHEMBL20183581 0.75 ALDH1A1 (0.40) ALDH1A1KDM4ERORCTHRBTP53

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 ALDH1A1 3243/4885KDM4E 1027/4885HTT 4000/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885KDM4E 3906/4885HTT 3551/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 ALDH1A1 3243/4885KDM4E 1027/4885HTT 4000/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885KDM4E 3906/4885HTT 3551/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 ALDH1A1 2674/4885KDM4E 3627/4885HTT 4139/4885

“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.