SCHEMBL20183753

SCHEMBL20183753

CCn1c(=O)cc(N2CCOCC2)c2cc(N(C)C(=O)c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
MCHR1 Q99705 1/20 0.38
MLNR O43193 1/20 0.38
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
RAF1 P04049 1/20 0.37

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
SCHEMBL20183656 0.92 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL20183605 0.91 RAF1 (0.47) ALDH1A1SMN1; SMN2MAPTNPSR1MEN1
SCHEMBL20183584 0.90 AKT1 (0.44) ALDH1A1SMN1; SMN2MAPTKDM4ENPSR1
SCHEMBL20183637 0.90 HIF1A (0.40) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL20183715 0.88 HIF1A (0.43) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL20183733 0.88 HIF1A (0.41) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL20183871 0.87 KDM4E (0.42) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL20183618 0.87 KMT2A (0.42) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL20183828 0.87 HIF1A (0.42) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL20183832 0.87 LMNA (0.47) ALDH1A1SMN1; SMN2MAPTLMNAKDM4E

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 ALDH1A1 3243/4885SMN1; SMN2 4557/4885MAPT 3928/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885SMN1; SMN2 3085/4885MAPT 4325/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 ALDH1A1 3243/4885SMN1; SMN2 4557/4885MAPT 3928/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885SMN1; SMN2 3085/4885MAPT 4325/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 ALDH1A1 2674/4885SMN1; SMN2 3653/4885MAPT 4406/4885

“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.