SCHEMBL24377965

SCHEMBL24377965

NC(=O)C1CNc2ccc(-c3ccccc3)cc2O1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
IKBKB O14920 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SIRT1 Q96EB6 1/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL24377996 0.89 KMT2A (0.50) HPGDADAMTS5KMT2AKDM4EMEN1
SCHEMBL1756750 0.81 HPGD (0.59) HPGDKMT2ASMN1; SMN2SIRT1CYP1A2
SCHEMBL23013290 0.78 ADAMTS5 (0.40) HPGDADAMTS5KMT2AKDM4ECYSLTR1
SCHEMBL29481459 0.78 ADAMTS5 (0.40) HPGDADAMTS5KMT2AKDM4ECYSLTR1
SCHEMBL24377973 0.78 HPGD (0.39) HPGDKMT2AMEN1CYSLTR1SMN1; SMN2
SCHEMBL24378156 0.74 LMNA (0.41) HPGDKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL24378129 0.73 SIRT1 (0.44) HPGDKMT2AKDM4EMEN1GAA
SCHEMBL24377998 0.72 HPGD (0.40) HPGDADAMTS5KMT2AIKBKBSMN1; SMN2
SCHEMBL924190 0.71 HPGD (0.59) HPGDADAMTS5KMT2AGAAMAPT
SCHEMBL11561148 0.71 ADAMTS5 (0.46) HPGDADAMTS5KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 HPGD 962/4885ADAMTS5 2679/4885KMT2A 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.