SCHEMBL8404372

SCHEMBL8404372

O=C1C(Cl)=C(Cl)C(=O)N1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.56
CHRM3 P20309 1/20 0.56
HSP90AA1 P07900 1/20 0.51
PARK7 Q99497 1/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
CA2 P00918 1/20 0.48
TRAP1 Q12931 1/20 0.48
P2RX3 P56373 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DAO P14920 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL11768442 0.84 MGLL (0.54) CA12CA1CA9CA2KDM4E
SCHEMBL8131868 0.84 HSP90AA1 (0.57) CHRM5CHRM3HSP90AA1PARK7CA12
SCHEMBL8317087 0.82 ATM (0.58) CHRM5CHRM3CA12CA1CA9
SCHEMBL14656875 0.79 MGLL (0.69) CHRM5CHRM3HSP90AA1PARK7CA12
SCHEMBL4415503 0.78 CHRM5 (0.65) CHRM5CHRM3HSP90AA1PARK7CA12
SCHEMBL12824609 0.78 CHRM5 (0.60) CHRM5CHRM3HSP90AA1PARK7CA12
SCHEMBL7558814 0.78 CES2 (0.53) CA12CA1CA9CA2ALDH1A1
SCHEMBL1270493 0.77 CHRM5 (0.52) CHRM5CHRM3HSP90AA1PARK7CA12
SCHEMBL127852 0.76 PARK7 (0.55) CHRM5CHRM3HSP90AA1PARK7CA12
SCHEMBL125865 0.75 PARK7 (0.54) CHRM5CHRM3HSP90AA1PARK7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US 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-B1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2019-04-10 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-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US disclosed
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US 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-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 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 (3 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-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CDKN1A, CDC25C, DDB1 CHRM5 4684/4885CHRM3 4765/4885HSP90AA1 2488/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 CHRM5 4684/4885CHRM3 4765/4885HSP90AA1 2488/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 CHRM5 4829/4885CHRM3 4854/4885HSP90AA1 2912/4885

“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.