SCHEMBL20183739

SCHEMBL20183739

CCn1c(=O)cc(C2CC2)c2cc(C(=O)N(C)c3ccc(F)cc3F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F2 P00734 2/20 0.37
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAPT P10636 2/20 0.35
RORC P51449 1/20 0.35
MAPK14 Q16539 1/20 0.34
RAB9A P51151 1/20 0.33
MLNR O43193 2/20 0.33
PER2 O15055 3/20 0.33
PTGER4 P35408 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
CRY2 Q49AN0 1/20 0.33

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
SCHEMBL20183612 0.90 ALDH1A1 (0.52) ALDH1A1TSHRPOLBNPSR1F2
SCHEMBL20183582 0.89 ALDH1A1 (0.39) ALDH1A1TSHRPOLBNPSR1DRD2
SCHEMBL20183551 0.87 KDM4E (0.38) ALDH1A1TSHRPOLBDRD2SLC6A4
SCHEMBL20183752 0.85 PDK1 (0.41) ALDH1A1TSHRF2DRD2SLC6A4
SCHEMBL20183731 0.84 ALDH1A1 (0.37) ALDH1A1TSHRPOLBNPSR1F2
SCHEMBL20183620 0.83 ITK (0.38) ALDH1A1TSHRDRD2SLC6A4MAPT
SCHEMBL20183487 0.83 POLB (0.41) ALDH1A1TSHRPOLBNPSR1RAB9A
SCHEMBL20183498 0.82 F2 (0.38) ALDH1A1TSHRPOLBF2MAPT
SCHEMBL20183590 0.82 MAPT (0.40) ALDH1A1TSHRPOLBNPSR1MAPT
SCHEMBL20183762 0.81 ALDH1A1 (0.39) ALDH1A1TSHRPOLBNPSR1F2

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 1307/4885POLB 2400/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885TSHR 2146/4885POLB 2919/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 ALDH1A1 3243/4885TSHR 1307/4885POLB 2400/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885TSHR 2146/4885POLB 2919/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 ALDH1A1 2674/4885TSHR 1621/4885POLB 3220/4885

“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.