SCHEMBL20183782

SCHEMBL20183782

CCn1c(=O)cc(/C=C/C2CC2)c2cc(N(C)C(=O)c3ccccc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
NPY5R Q15761 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ITK Q08881 4/20 0.37
INSR P06213 2/20 0.37
RORC P51449 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HPGD P15428 1/20 0.36
TXK P42681 1/20 0.34

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
SCHEMBL20806258 0.87 KDM4E (0.39) ALDH1A1NPY5RKDM4EMAPTPKM
SCHEMBL20183768 0.85 KDM4E (0.39) ALDH1A1NPY5RKDM4EHTTMAPT
SCHEMBL20183851 0.82 ALDH1A1 (0.41) ALDH1A1NPY5RKDM4EHTTMAPT
SCHEMBL20183719 0.80 KDM4E (0.44) ALDH1A1NPY5RKDM4EMAPTPKM
SCHEMBL20183842 0.79 KDM4E (0.41) ALDH1A1NPY5RKDM4EMAPTPKM
SCHEMBL20183870 0.79 ALDH1A1 (0.38) ALDH1A1NPY5RKDM4EHTTMAPT
SCHEMBL20183869 0.79 NPY5R (0.39) ALDH1A1NPY5RKDM4EHTTMAPT
SCHEMBL20183843 0.78 RORC (0.44) ALDH1A1NPY5RKDM4EMAPTPKM
SCHEMBL20183677 0.76 BCHE (0.37) ALDH1A1NPY5RKDM4EMAPTITK
SCHEMBL20183611 0.76 RORC (0.43) ALDH1A1NPY5RKDM4EMAPTPKM

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 17 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
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
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 3243/4885NPY5R 1685/4885KDM4E 1027/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885NPY5R 1196/4885KDM4E 3906/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 ALDH1A1 3243/4885NPY5R 1685/4885KDM4E 1027/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885NPY5R 1196/4885KDM4E 3906/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 ALDH1A1 2674/4885NPY5R 991/4885KDM4E 3627/4885

“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.