SCHEMBL20183719

SCHEMBL20183719

CCc1cc(=O)n(CC)c2ccc(N(C)C(=O)c3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 4/20 0.43
NPY5R Q15761 4/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
ITK Q08881 4/20 0.42
INSR P06213 2/20 0.42
RORC P51449 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TXK P42681 1/20 0.39

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
SCHEMBL20183872 0.90 NPY5R (0.42) KDM4EALDH1A1NPY5RMAPTPKM
SCHEMBL20183829 0.88 NPY5R (0.41) KDM4EALDH1A1NPY5RMAPTPKM
SCHEMBL20183869 0.87 NPY5R (0.39) KDM4EALDH1A1NPY5RMAPTPKM
SCHEMBL20183843 0.85 RORC (0.44) KDM4EALDH1A1NPY5RMAPTPKM
SCHEMBL20183851 0.84 ALDH1A1 (0.41) KDM4EALDH1A1NPY5RMAPTPKM
SCHEMBL20183611 0.84 RORC (0.43) KDM4EALDH1A1NPY5RMAPTPKM
SCHEMBL20806258 0.83 KDM4E (0.39) KDM4EALDH1A1NPY5RMAPTPKM
SCHEMBL20183842 0.80 KDM4E (0.41) KDM4EALDH1A1NPY5RMAPTPKM
SCHEMBL20183768 0.80 KDM4E (0.39) KDM4EALDH1A1NPY5RMAPTPKM
SCHEMBL20183782 0.80 ALDH1A1 (0.38) KDM4EALDH1A1NPY5RMAPTPKM

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
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
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
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
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 KDM4E 1027/4885ALDH1A1 3243/4885NPY5R 1685/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 KDM4E 3906/4885ALDH1A1 3095/4885NPY5R 1196/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 KDM4E 1027/4885ALDH1A1 3243/4885NPY5R 1685/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 KDM4E 3906/4885ALDH1A1 3095/4885NPY5R 1196/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 KDM4E 3627/4885ALDH1A1 2674/4885NPY5R 991/4885

“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.