SCHEMBL20195108

SCHEMBL20195108

CCn1c(=O)cc(N2CCCCC2)c2cc(-n3c(-c4ccccc4)c[nH]c3=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
HTT P42858 7/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NPSR1 Q6W5P4 6/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.37
KIF11 P52732 1/20 0.37
RAC2 P15153 1/20 0.37
RAC3 P60763 1/20 0.37
CDC42 P60953 1/20 0.37
RAC1 P63000 1/20 0.37
KDR P35968 1/20 0.35
GBA1 P04062 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL20183815 0.91 GAA (0.40) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL20183526 0.84 ALDH1A1 (0.42) ALDH1A1HTTHPGDKMT2AMEN1
SCHEMBL20183667 0.83 RAC2 (0.41) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL20806222 0.82 GAA (0.40) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL20183663 0.81 TSHR (0.41) ALDH1A1HTTHPGDKMT2AMEN1
SCHEMBL20788154 0.81 NPSR1 (0.43) ALDH1A1HTTHPGDKMT2AMEN1
SCHEMBL20354296 0.79 ALDH1A1 (0.37) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL20183765 0.79 HTR6 (0.36) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL20183592 0.77 HTR6 (0.39) LMNAKDM4EHSD17B10
SCHEMBL20354312 0.76 KDM4E (0.36) ALDH1A1HPGDKMT2AMEN1NPSR1

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 16 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

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 3243/4885HTT 4000/4885HPGD 2185/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885HTT 3551/4885HPGD 581/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 ALDH1A1 3243/4885HTT 4000/4885HPGD 2185/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885HTT 3551/4885HPGD 581/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 ALDH1A1 2674/4885HTT 4139/4885HPGD 1687/4885

“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.