SCHEMBL20183686

SCHEMBL20183686

CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(C(C)(C)C)cc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.43
FASN P49327 1/20 0.36
NPY5R Q15761 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RORC P51449 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
PGR P06401 1/20 0.34
PTGER4 P35408 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DNMT1 P26358 3/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 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
SCHEMBL20183805 0.90 ALDH1A1 (0.37) NPY5RKDM4ERAB9AALDH1A1RORC
SCHEMBL20183680 0.89 MCHR1 (0.39) NPY5RKDM4ERAB9AALDH1A1RORC
SCHEMBL20183518 0.89 BRD4 (0.39) NPY5RKDM4ERAB9AALDH1A1RORC
SCHEMBL20183493 0.88 MAPT (0.37) NPY5RKDM4ENPC1RAB9AALDH1A1
SCHEMBL20183496 0.88 ALDH1A1 (0.36) NPY5RKDM4ERAB9AALDH1A1RORC
SCHEMBL20183620 0.88 ITK (0.38) NPY5RKDM4EALDH1A1RORCKMT2A
SCHEMBL20183710 0.88 SMN1; SMN2 (0.37) NPY5RKDM4ERAB9AALDH1A1RORC
SCHEMBL20183851 0.88 ALDH1A1 (0.41) NPY5RKDM4EALDH1A1RORCTSHR
SCHEMBL21459057 0.87 HSP90AA1 (0.35) NR1H4NPY5RKDM4ENPC1RAB9A
SCHEMBL20183717 0.86 HPGD (0.36) NPY5RKDM4ERAB9AALDH1A1RORC

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 13 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
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 NR1H4 281/4885FASN 3674/4885NPY5R 1685/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 NR1H4 345/4885FASN 1626/4885NPY5R 1196/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 NR1H4 281/4885FASN 3674/4885NPY5R 1685/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 NR1H4 345/4885FASN 1626/4885NPY5R 1196/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 NR1H4 149/4885FASN 1500/4885NPY5R 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.