SCHEMBL3640397

SCHEMBL3640397

CC1=C(C)C(=O)N(Nc2cc(CNC3CCN(C(=O)O)CC3)c3ccc(Br)cc3n2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD4 P21917 1/20 0.35
GAA P10253 1/20 0.33
APP P05067 1/20 0.33
TACR1 P25103 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PHGDH O43175 1/20 0.33
CASP3 P42574 1/20 0.32
MAPT P10636 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
HTT P42858 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
CACNA2D1 P54289 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
SCHEMBL3640400 0.90 ALDH1A1 (0.36) MCHR1ALDH1A1MEN1KMT2ADRD4
SCHEMBL1592454 0.88 DNMT3A (0.41) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5001768 0.87 MCHR1 (0.37) MCHR1TACR1
SCHEMBL3640809 0.83 POLB (0.41) ALDH1A1MEN1KMT2AKDM4EPHGDH
SCHEMBL3633036 0.82 TRPV6 (0.36) ALDH1A1MEN1KMT2AHTT
SCHEMBL1592457 0.78 DNMT3A (0.42) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL23872052 0.77 DNMT3A (0.40) ALDH1A1MEN1KMT2AGAA
SCHEMBL1592514 0.77 CHEK1 (0.38) ALDH1A1MEN1KMT2AGAAAPP
SCHEMBL1592478 0.76 CASP3 (0.39) ALDH1A1GAAKDM4ECASP3MAPT
SCHEMBL5007566 0.75 GPR6 (0.32) ALDH1A1MEN1KMT2AKDM4ECASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152692-B9 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2020-03-25 EP claimed
EP-2152692-B1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2016-06-15 EP claimed
EP-2152692-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY Canbas Co. Ltd. (JP) 2010-02-17 EP claimed
WO-2009031040-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2009-03-12 WO claimed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US claimed
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
EP-2152692-B9 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2020-03-25 EP disclosed
EP-3567035-A1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2019-11-13 EP disclosed
EP-3088397-A1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2016-11-02 EP disclosed
EP-2152692-B1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2016-06-15 EP disclosed
US-8084454-B2 Cell cycle G2-checkpoint-abrogating 1-[(2-pyridyl)amino]-azoline-2,5-dione derivatives with at least one halogen group, to selectively sensitize cancer cells to DNA damaging reagents without additional anticarcinogenic treatment; cytolytic agents, antiproliferatives, apoptosis CANBAS CO., LTD. (JP) 2011-12-27 US disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US 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 (2 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-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 MCHR1 3531/4885ALDH1A1 788/4885MEN1 1177/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 MCHR1 4018/4885ALDH1A1 1388/4885MEN1 3137/4885

“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.