SCHEMBL1813477

SCHEMBL1813477

Fc1cc(Br)c(C2OCCO2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.40
KDM1B Q8NB78 4/20 0.40
KCNH2 Q12809 2/20 0.40
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 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
SCHEMBL1229929 0.92 KDM1A (0.38) KDM1AKDM1BKCNH2CHRNB2CHRNB4
SCHEMBL25593106 0.85 KDM1A (0.33) KDM1AKDM1BKCNH2
SCHEMBL20263723 0.84 NPC1 (0.32)
SCHEMBL26122002 0.81 HTR2C (0.37) KDM1A
SCHEMBL21408540 0.78 KDM1A (0.43) KDM1AKDM1BKCNH2
SCHEMBL6616813 0.76 ALDH1A1 (0.39)
SCHEMBL1875659 0.76 KDM1A (0.35) KDM1AKDM1BKCNH2CHRNB2CHRNB4
SCHEMBL30228097 0.76 KDM1A (0.35) KDM1AKDM1BKCNH2CHRNB2CHRNB4
SCHEMBL31725635 0.76 KDM1A (0.34) KDM1AKDM1BKCNH2CHRNB2CHRNB4
SCHEMBL12656462 0.76 KDM1A (0.34) KDM1AKDM1BKCNH2CHRNB2CHRNB4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782995-B1 SPIRO CONDENSED IMIDAZOLINE-2,4-DIONE DERIVATIVES AS HISTONE ACETYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF CANCER DISEASES SHANGHAI INST MATERIA MEDICA CAS (CN) 2023-11-22 EP disclosed
EP-3782995-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-02-24 EP disclosed
WO-2019201291-A1 HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF 中国科学院上海药物研究所 2019-10-24 WO disclosed
EP-2488530-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS Merck Canada Inc. (CA) 2012-08-22 EP disclosed
US-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-08-09 US disclosed
WO-2011057382-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-05-19 WO 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 (1 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-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS REN, AGTR1, AGTR2 KDM1A 3890/4885KDM1B 3898/4885KCNH2 32/4885

“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.