SCHEMBL20183518

SCHEMBL20183518

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
GLA P06280 1/20 0.38
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
ITK Q08881 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.35
NPY5R Q15761 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
PTGER4 P35408 1/20 0.35
RORC P51449 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
SCHEMBL20183593 0.94 BRD4 (0.43) BRD4GLAITKKDM4EALDH1A1
SCHEMBL20183805 0.93 ALDH1A1 (0.37) KDM4EALDH1A1RAB9ASMN1; SMN2NPY5R
SCHEMBL20183680 0.92 MCHR1 (0.39) KDM4EALDH1A1RAB9ANPY5RHPGD
SCHEMBL20183710 0.91 SMN1; SMN2 (0.37) GLAKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL20183496 0.91 ALDH1A1 (0.36) ITKKDM4EALDH1A1RAB9ANPY5R
SCHEMBL20183620 0.91 ITK (0.38) ITKKDM4EALDH1A1TP53NPY5R
SCHEMBL20183493 0.91 MAPT (0.37) KDM4EALDH1A1RAB9AMAPK1SMN1; SMN2
SCHEMBL20183851 0.91 ALDH1A1 (0.41) ITKKDM4EALDH1A1SMN1; SMN2NPY5R
SCHEMBL20806259 0.89 GLA (0.35) BRD4GLAHSD17B1HSD17B2ITK
SCHEMBL20183740 0.89 TP53 (0.42) KDM4EALDH1A1TP53NPY5RHPGD

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 BRD4 1/4885GLA 1684/4885HSD17B1 2329/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 BRD4 238/4885GLA 4496/4885HSD17B1 1545/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 BRD4 1/4885GLA 1684/4885HSD17B1 2329/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 BRD4 238/4885GLA 4496/4885HSD17B1 1545/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 BRD4 496/4885GLA 3829/4885HSD17B1 1019/4885

“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.