SCHEMBL20183558

SCHEMBL20183558

CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3cccc(OC)c3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 5/20 0.45
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
HCRTR1 O43613 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.41
HSD17B1 P14061 4/20 0.41
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
INSR P06213 1/20 0.39
ITK Q08881 1/20 0.39
MCHR1 Q99705 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
SCHEMBL20183554 0.88 LMNA (0.38) KDM4ERAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL20183748 0.88 ELANE (0.39) HSD17B2MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL20183819 0.88 HSD17B1 (0.38) HSD17B2KDM4EHPGDALDH1A1MEN1
SCHEMBL20183851 0.88 ALDH1A1 (0.41) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL20183633 0.87 ALDH1A1 (0.36) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL20183516 0.84 NPSR1 (0.44) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL20183805 0.84 ALDH1A1 (0.37) MAPTKDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL20183587 0.83 KDM4E (0.41) KDM4EHPGDRAB9AALDH1A1
SCHEMBL20183518 0.83 BRD4 (0.39) HSD17B2MAPTKDM4EHPGDRAB9A
SCHEMBL20183680 0.83 MCHR1 (0.39) KDM4EHPGDRAB9AALDH1A1MCHR1

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-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

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 HSD17B2 2979/4885MAPT 3928/4885KDM4E 1027/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 HSD17B2 2036/4885MAPT 4325/4885KDM4E 3906/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 HSD17B2 2979/4885MAPT 3928/4885KDM4E 1027/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 HSD17B2 2036/4885MAPT 4325/4885KDM4E 3906/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 HSD17B2 1427/4885MAPT 4406/4885KDM4E 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.