SCHEMBL20183713

SCHEMBL20183713

CCn1c(=O)cc(C2CC2)c2cc(C(=O)N(C)c3ccccn3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
PTGER4 P35408 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL20183745 0.87 LYN (0.39) ALDH1A1PTGER4LMNAKDM4EHPGD
SCHEMBL20183542 0.86 PTGER4 (0.39) ALDH1A1PTGER4SMN1; SMN2KDM4ENPSR1
SCHEMBL20183528 0.85 KDM4E (0.48) ALDH1A1PTGER4SMN1; SMN2KDM4ETSHR
SCHEMBL20183653 0.83 NPY5R (0.39) ALDH1A1PTGER4KDM4EHPGDHSD17B10
SCHEMBL20183487 0.83 POLB (0.41) ALDH1A1PTGER4KDM4EHPGDTSHR
SCHEMBL20183628 0.82 KDM4E (0.38) ALDH1A1PTGER4SMN1; SMN2KDM4EHPGD
SCHEMBL20183691 0.82 PTGER4 (0.38) ALDH1A1PTGER4SMN1; SMN2KDM4EHPGD
SCHEMBL20183837 0.82 TRPV1 (0.45) ALDH1A1PTGER4KDM4EHPGDHTT
SCHEMBL20183612 0.82 ALDH1A1 (0.52) ALDH1A1PTGER4LMNAKDM4EHPGD
SCHEMBL20183811 0.81 ALDH1A1 (0.42) ALDH1A1PTGER4SMN1; SMN2KDM4EHPGD

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 3243/4885PTGER4 3214/4885LMNA 1830/4885
US-10696637-B2 Nitrogen-containing heterocyclic compound CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885PTGER4 3686/4885LMNA 2949/4885
US-20190314360-A1 ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR BRD4, BRD1, BRD3 ALDH1A1 3243/4885PTGER4 3214/4885LMNA 1830/4885
US-20190077761-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CXCL10, CCL5, CXCR3 ALDH1A1 3095/4885PTGER4 3686/4885LMNA 2949/4885
US-10633343-B2 CXCL10, CCL5, CXCR3 ALDH1A1 2674/4885PTGER4 3588/4885LMNA 3356/4885

“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.