SCHEMBL278402

SCHEMBL278402

CN(C)C(=O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.59
KIF11 P52732 1/20 0.54
HDAC8 Q9BY41 6/20 0.51
HDAC6 Q9UBN7 2/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
NR1H4 Q96RI1 2/20 0.45
EPHX2 P34913 1/20 0.45
ERN1 O75460 1/20 0.44
HDAC3 O15379 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CES2 O00748 1/20 0.43
CYP26A1 O43174 1/20 0.43
CYP26B1 Q9NR63 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
SCHEMBL25093377 0.90 RXRA (0.58) ACHEKIF11HDAC8RXRARXRB
SCHEMBL3876454 0.84 CES2 (0.65) KIF11ALDH1A1CES2
SCHEMBL21652181 0.83 ACHE (0.53) ACHEKIF11HDAC8HDAC6RXRA
SCHEMBL19368930 0.83 KIF11 (0.52) ACHEKIF11HDAC8HDAC6ERN1
SCHEMBL14093042 0.83 HDAC8 (0.56) ACHEKIF11HDAC8HDAC6RXRA
SCHEMBL7406706 0.82 MEN1 (0.55) KIF11ERN1ALDH1A1
SCHEMBL17806554 0.82 ERN1 (0.56) HDAC6RXRARXRBNR1H4EPHX2
SCHEMBL19732439 0.81 MAPT (0.47) ACHEKIF11HDAC8HDAC6RXRA
SCHEMBL12201875 0.81 HPGD (0.63) ACHEHDAC8ALDH1A1
SCHEMBL12305535 0.80 ACHE (0.53) ACHEKIF11HDAC8HDAC6RXRA

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US disclosed
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-04-20 US disclosed
US-20220177443-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-09 US disclosed
US-20220169646-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 US disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
US-11325930-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2022-05-10 US disclosed
US-11084804-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-08-10 US disclosed
US-20110112299-A1 TETRACYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-7741321-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-22 US disclosed
US-7741321-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-22 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US disclosed
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 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 (15 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-11325930-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS ACHE 3695/4885KIF11 3487/4885HDAC8 1199/4885
US-20220177443-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE IKZF2, IKZF1, IKZF3 ACHE 4534/4885KIF11 180/4885HDAC8 273/4885
US-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ACHE 4616/4885KIF11 4577/4885HDAC8 3179/4885
US-20220169646-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 ACHE 4746/4885KIF11 4204/4885HDAC8 103/4885
US-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 ACHE 4750/4885KIF11 4749/4885HDAC8 1398/4885
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS PCK1, SLC5A1, PFKFB1 ACHE 3159/4885KIF11 2340/4885HDAC8 1187/4885
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 ACHE 61/4885KIF11 3302/4885HDAC8 2352/4885
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists AHR, ARNT, AIPL1 ACHE 4855/4885KIF11 4546/4885HDAC8 423/4885
US-11084804-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ACHE 4616/4885KIF11 4577/4885HDAC8 3179/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ACHE 4616/4885KIF11 4577/4885HDAC8 3179/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ACHE 4616/4885KIF11 4577/4885HDAC8 3179/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ACHE 4616/4885KIF11 4577/4885HDAC8 3179/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 ACHE 971/4885KIF11 4034/4885HDAC8 1353/4885
US-20110112299-A1 TETRACYCLIC COMPOUND REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, LPXN ACHE 3797/4885KIF11 1369/4885HDAC8 2274/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS ACHE 3695/4885KIF11 3487/4885HDAC8 1199/4885

“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.