SCHEMBL20183596

SCHEMBL20183596

CCn1c(=O)cc(C(C)C)c2cc(C(=O)N(C)c3ccc(F)c(C(F)(F)F)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.41
RXRA P19793 3/20 0.37
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RORC P51449 2/20 0.33
PTGES O14684 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCHR1 Q99705 1/20 0.32
P2RX7 Q99572 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DHODH Q02127 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
SCHEMBL20183824 0.93 RXRA (0.37) HDAC8RXRAALDH1A1TSHRGPBAR1
SCHEMBL20183659 0.92 RXRA (0.37) RXRAALDH1A1TSHRGPBAR1KDM4E
SCHEMBL20183791 0.90 ALDH1A1 (0.38) ALDH1A1TSHRKDM4ERORCTP53
SCHEMBL20183788 0.87 LMNA (0.38) RXRAKDM4ERORCTP53MAPT
SCHEMBL21474026 0.86 MAPT (0.41) ALDH1A1TSHRKDM4ERORCTP53
SCHEMBL20183836 0.84 MEN1 (0.44) ALDH1A1TSHRKDM4ETP53MAPT
SCHEMBL20183809 0.84 MAPT (0.40) ALDH1A1KDM4ERORCTP53MAPT
SCHEMBL20183650 0.84 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ERORCTP53
SCHEMBL20195225 0.84 ALDH1A1 (0.35) ALDH1A1TSHRKDM4ERORCTP53
SCHEMBL20183581 0.83 ALDH1A1 (0.40) RXRAALDH1A1TSHRGPBAR1KDM4E

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 14 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
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 HDAC8 119/4885RXRA 1441/4885ALDH1A1 3243/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 HDAC8 1866/4885RXRA 2318/4885ALDH1A1 3095/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 HDAC8 119/4885RXRA 1441/4885ALDH1A1 3243/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 HDAC8 1866/4885RXRA 2318/4885ALDH1A1 3095/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 HDAC8 2051/4885RXRA 848/4885ALDH1A1 2674/4885

“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.