SCHEMBL1592871

SCHEMBL1592871

CC1=C(C)C(=O)N(Nc2cc(C(F)(F)F)c3ccccc3n2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
XPO1 O14980 7/20 0.45
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACP1 P24666 1/20 0.39
MCHR1 Q99705 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.38
C1R P00736 1/20 0.38
SLC2A1 P11166 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
ELANE P08246 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL21556239 0.91 XPO1 (0.41) BACE1XPO1ALDH1A1L3MBTL1MAPT
SCHEMBL1592872 0.84 BACE1 (0.46) BACE1XPO1ALDH1A1L3MBTL1ACP1
SCHEMBL1592460 0.78 XPO1 (0.47) XPO1
SCHEMBL20880362 0.75 XPO1 (0.54) XPO1
SCHEMBL1592486 0.74 XPO1 (0.48) XPO1ALDH1A1L3MBTL1
SCHEMBL8137397 0.73 BACE1 (0.63) BACE1ALDH1A1L3MBTL1ACP1MCHR1
SCHEMBL8138653 0.72 XPO1 (0.61) XPO1ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL1592489 0.72 XPO1 (0.45) XPO1MAPT
SCHEMBL20880320 0.72 XPO1 (0.46) XPO1ALDH1A1L3MBTL1
SCHEMBL19117639 0.71 BACE1 (0.64) BACE1ALDH1A1L3MBTL1ACP1MAPT

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 34 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-4125872-A1 SUBSTITUTED AZOLE DIONE COMPOUNDS WITH ANTIVIRAL ACTIVITY Stemline Therapeutics Inc. (US) 2023-02-08 EP disclosed
EP-4074704-A1 QUINOLINE COMPOUNDS WITH ANTI-CANCER ACTIVITY CanBas Co., Ltd. (JP) 2022-10-19 EP disclosed
EP-3567035-B1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2022-06-01 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 BACE1 4228/4885XPO1 280/4885ALDH1A1 788/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 BACE1 4228/4885XPO1 280/4885ALDH1A1 788/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 BACE1 4359/4885XPO1 302/4885ALDH1A1 1388/4885

“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.