SCHEMBL20183535

SCHEMBL20183535

CCn1c(=O)cc(C2CC2)c2cc(-n3c(-c4ccc(Cl)cc4)c[nH]c3=O)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 3/20 0.33
MCHR1 Q99705 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNH2 Q12809 6/20 0.33
MLNR O43193 1/20 0.32
CACNA1F O60840 1/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
ABCB1 P08183 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL20183876 0.91 TP53 (0.33) ALDH1A1HPGDKDM4EMAPK1HTR1A
SCHEMBL20183722 0.88 AR (0.35) MAPTALDH1A1HPGDMCHR1KCNH2
SCHEMBL20183765 0.85 HTR6 (0.36) MAPTALDH1A1HPGDKDM4EDRD2
SCHEMBL20183769 0.84 DRD2 (0.34) MAPTALDH1A1HPGDLMNAMCHR1
SCHEMBL20788158 0.83 LYN (0.39) MAPTALDH1A1HPGDLMNAMCHR1
SCHEMBL20183663 0.80 TSHR (0.41) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL20183589 0.75 TP53 (0.33) MCHR1KDM4EHTR1ADRD2HTR1B
SCHEMBL20183667 0.74 RAC2 (0.41) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL20183850 0.74 KDM4E (0.40) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL20788152 0.72 AR (0.35) MCHR1HTR1ADRD2HTR1BHTR2C

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 9 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
US-10696637-B2 Nitrogen-containing heterocyclic compound FUJIFILM CORPORATION (JP) 2020-06-30 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
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 MAPT 3928/4885ALDH1A1 3243/4885HPGD 2185/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 MAPT 4325/4885ALDH1A1 3095/4885HPGD 581/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 MAPT 3928/4885ALDH1A1 3243/4885HPGD 2185/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 MAPT 4325/4885ALDH1A1 3095/4885HPGD 581/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 MAPT 4406/4885ALDH1A1 2674/4885HPGD 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.