SCHEMBL24378008

SCHEMBL24378008

NC(=O)C1CN(C(=O)CCl)c2c(ccc3ccccc23)O1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.48
SIRT1 Q96EB6 15/20 0.46
SIRT2 Q8IXJ6 10/20 0.40
SIRT3 Q9NTG7 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL29516344 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2ASIRT1SIRT2
SCHEMBL26938739 0.89 KMT2A (0.47) ALDH1A1KDM4EKMT2ASIRT1L3MBTL1
SCHEMBL26938829 0.78 SIRT1 (0.65) SIRT1SIRT2SIRT3
SCHEMBL24378118 0.78 SIRT1 (0.65) SIRT1SIRT2SIRT3
SCHEMBL24378125 0.78 SIRT1 (0.65) SIRT1SIRT2SIRT3
SCHEMBL24377955 0.78 SIRT1 (0.52) KMT2ASIRT1SIRT2SIRT3
SCHEMBL29516212 0.78 SIRT1 (0.52) KMT2ASIRT1SIRT2SIRT3
SCHEMBL24378019 0.74 SIRT1 (0.48) SIRT1SIRT2SIRT3
SCHEMBL24378122 0.73 TP53 (0.49) ALDH1A1KMT2ASIRT1L3MBTL1
SCHEMBL29516214 0.73 SIRT1 (0.49) SIRT1SIRT2SIRT3

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 5 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
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 ALDH1A1 1714/4885KDM4E 262/4885KMT2A 476/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 ALDH1A1 924/4885KDM4E 619/4885KMT2A 464/4885

“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.