SCHEMBL1593044

SCHEMBL1593044

COc1ccccc1C(=O)N1CCN(Cc2cc(NN3C(=O)C(C)=C(C)C3=O)nc3cc(Br)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 7/20 0.49
KCNK3 O14649 3/20 0.47
KCNK9 Q9NPC2 3/20 0.47
LMNA P02545 5/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL29934387 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EKCNK3KCNK9LMNA
SCHEMBL21556328 0.92 LMNA (0.47) ALDH1A1KDM4EKCNK3KCNK9LMNA
SCHEMBL20880380 0.90 MEN1 (0.46) ALDH1A1KDM4EKCNK3KCNK9LMNA
SCHEMBL1593045 0.90 ALDH1A1 (0.49) ALDH1A1KDM4EKCNK3KCNK9LMNA
SCHEMBL1592381 0.89 MEN1 (0.42) ALDH1A1KDM4EKCNK3KCNK9LMNA
SCHEMBL1592443 0.87 POLB (0.48) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL1593221 0.86 POLB (0.48) ALDH1A1KDM4EKCNK3KCNK9LMNA
SCHEMBL29934295 0.86 POLB (0.48) ALDH1A1KDM4EKCNK3KCNK9LMNA
SCHEMBL1593225 0.85 POLB (0.47) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL8134771 0.85 POLB (0.54) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A

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 32 patents — showing the first 20. 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
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US claimed
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 claimed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US 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
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
EP-4074704-A1 QUINOLINE COMPOUNDS WITH ANTI-CANCER ACTIVITY CanBas Co., Ltd. (JP) 2022-10-19 EP disclosed
WO-2021194954-A1 SUBSTITUTED AZOLE DIONE COMPOUNDS WITH ANTIVIRAL ACTIVITY STEMLINE THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
EP-2152692-B9 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2020-03-25 EP disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US disclosed
EP-2152692-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY Canbas Co. Ltd. (JP) 2010-02-17 EP disclosed
WO-2009031040-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2009-03-12 WO disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 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 ALDH1A1 788/4885KDM4E 214/4885KCNK3 3139/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 ALDH1A1 788/4885KDM4E 214/4885KCNK3 3139/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 ALDH1A1 1388/4885KDM4E 1151/4885KCNK3 4543/4885

“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.