SCHEMBL24378022

SCHEMBL24378022

C=CC(=O)N1CC(C(N)=O)Oc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 18/20 0.55
SIRT3 Q9NTG7 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
SIRT2 Q8IXJ6 12/20 0.49

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
SCHEMBL29516333 1.00 SIRT1 (0.55) SIRT1SIRT3TDP1SIRT2
SCHEMBL26938750 0.87 SIRT3 (0.45) SIRT1SIRT3TDP1SIRT2
SCHEMBL24377964 0.84 SIRT1 (0.54) SIRT1SIRT3TDP1SIRT2
SCHEMBL24377995 0.83 SIRT1 (0.43) SIRT1SIRT3TDP1SIRT2
SCHEMBL24377970 0.83 SIRT1 (0.53) SIRT1SIRT3TDP1SIRT2
SCHEMBL29516215 0.82 POLB (0.47) TDP1
SCHEMBL24378150 0.82 POLB (0.47) TDP1
SCHEMBL24377997 0.80 MAPT (0.50)
SCHEMBL24378138 0.77 SIRT1 (0.50) SIRT1SIRT3TDP1SIRT2
SCHEMBL24378125 0.77 SIRT1 (0.65) SIRT1SIRT3TDP1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570620-B2 Covalent inhibitors of creatine kinase (CK) and uses thereof for treating and preventing cancer DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-03-10 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 US disclosed
CN-116323571-A Covalent inhibitors of Creatine Kinase (CK) and their use for the treatment and prevention of cancer 丹娜法伯癌症研究院 2023-06-23 CN disclosed
WO-2022087433-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 WO 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-12570620-B2 Covalent inhibitors of creatine kinase (CK) and uses thereof for treating and preventing cancer CSNK1A1L, CKMT1A; CKMT1B, KHK SIRT1 1935/4885SIRT3 653/4885TDP1 2480/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 SIRT1 935/4885SIRT3 493/4885TDP1 813/4885

“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.