SCHEMBL25136366

SCHEMBL25136366

COC(=O)c1cc(C(C)(C)O)nc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.40
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
SYK P43405 1/20 0.35
NOTUM Q6P988 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL16095194 0.84 MAPT (0.46) NQO2LMNAALDH1A1NOTUMMRGPRX4
SCHEMBL25136303 0.81 KMO (0.44) LMNAALDH1A1MAPK1KDM4E
SCHEMBL112719 0.78 KDM4E (0.45) NQO2LMNAALDH1A1MAPK1SYK
SCHEMBL30307699 0.78 KDM4E (0.45) NQO2LMNAALDH1A1MAPK1SYK
SCHEMBL4038801 0.77 ALDH1A1 (0.53) NQO2LMNAALDH1A1MAPK1KDM4E
SCHEMBL350485 0.76 ALDH1A1 (0.54) NQO2LMNAALDH1A1MAPK1KDM4E
SCHEMBL10198533 0.76 LMNA (0.47) NQO2LMNAALDH1A1MAPK1SYK
SCHEMBL24046189 0.76 NQO2 (0.43) NQO2LMNAALDH1A1MAPK1SYK
SCHEMBL2706709 0.76 LMNA (0.47) NQO2LMNAALDH1A1MAPK1KDM4E
SCHEMBL18471622 0.75 NQO2 (0.38) NQO2LMNAALDH1A1MAPK1SYK

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
EP-4370512-A1 CD38 MODULATORS AND METHODS OF USE THEREOF Cytokinetics, Inc. (US) 2024-05-22 EP disclosed
CN-117813296-A CD38 modulators and methods of use thereof 赛特凯恩蒂克公司 2024-04-02 CN disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
WO-2023288195-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. (US) 2023-01-19 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT NQO2 195/4885LMNA 1413/4885ALDH1A1 358/4885

“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.