SCHEMBL20183797

SCHEMBL20183797

CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccccc3N(C)C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
TSHR P16473 3/20 0.39
RORC P51449 1/20 0.38
NPY5R Q15761 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.36
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
NTSR1 P30989 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 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
SCHEMBL20788153 0.91 ALDH1A1 (0.40) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183481 0.89 KDM4E (0.43) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183494 0.89 ALDH1A1 (0.39) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183742 0.89 ALDH1A1 (0.38) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183601 0.87 NPY5R (0.38) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183880 0.87 ALDH1A1 (0.41) ALDH1A1TSHRRORCHTR3EHTR3B
SCHEMBL20183851 0.86 ALDH1A1 (0.41) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183827 0.85 MEN1 (0.39) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183805 0.84 ALDH1A1 (0.37) ALDH1A1TSHRRORCNPY5RHTR3E
SCHEMBL20183808 0.84 ATM (0.36) ALDH1A1TSHRRORCNPY5RHTR3E

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 15 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
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 3243/4885TSHR 1307/4885RORC 2166/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885TSHR 2146/4885RORC 2610/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 ALDH1A1 3243/4885TSHR 1307/4885RORC 2166/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885TSHR 2146/4885RORC 2610/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 ALDH1A1 2674/4885TSHR 1621/4885RORC 2295/4885

“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.