SCHEMBL24378149

SCHEMBL24378149

CNC(=O)C1CN(C(=O)CCl)c2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.48
SIRT1 Q96EB6 4/20 0.48
SIRT3 Q9NTG7 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL29516475 1.00 KMT2A (0.49) KMT2AMEN1SIRT1SIRT3NPC1
SCHEMBL26938745 0.85 SIRT1 (0.51) KMT2AMEN1SIRT1SIRT3NPC1
SCHEMBL26938740 0.85 SIRT1 (0.51) KMT2AMEN1SIRT1SIRT3NPC1
SCHEMBL26938724 0.85 SIRT1 (0.51) KMT2AMEN1SIRT1SIRT3NPC1
SCHEMBL24377947 0.85 YAP1 (0.49) KMT2AMEN1SIRT1NPC1RAB9A
SCHEMBL2635795 0.85 KMT2A (0.67) KMT2AMEN1SIRT1SIRT3NPC1
SCHEMBL24378118 0.84 SIRT1 (0.65) SIRT1SIRT3
SCHEMBL29516196 0.84 SIRT1 (0.52) KMT2AMEN1SIRT1SIRT3NPC1
SCHEMBL24378124 0.84 SIRT1 (0.52) KMT2AMEN1SIRT1SIRT3NPC1
SCHEMBL24378125 0.84 SIRT1 (0.65) SIRT1SIRT3

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 KMT2A 476/4885MEN1 4864/4885SIRT1 1935/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 KMT2A 464/4885MEN1 4455/4885SIRT1 935/4885

“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.