SCHEMBL24028144

SCHEMBL24028144

COc1cccc(C)c1-c1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ SYK P43405 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ HSP90AA1 P07900 2/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ PLAU P00749 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ ELANE P08246 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ APLNR P35414 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 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
SCHEMBL30212902 1.00 CCNT1 (0.43) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL1445096 0.82 SCN9A (0.47) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL14844977 0.80 PTPN1 (0.46) HSP90AA1HSP90AB1CYP3A4TSHRKDM4E
SCHEMBL15618043 0.79 APLNR (0.55) SYKHSP90AA1PLAUAPLNRCYP1A2
SCHEMBL24027842 0.79 ALDH1A1 (0.43) SYKHSP90AA1HSP90AB1NPSR1APLNR
SCHEMBL30212908 0.79 ALDH1A1 (0.43) SYKHSP90AA1HSP90AB1NPSR1APLNR
SCHEMBL8154563 0.76 CCNT1 (0.52) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL30831604 0.76 CCNT1 (0.52) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL30141974 0.76 CCNT1 (0.52) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL17194883 0.75 CCNT1 (0.43) CCNT1CCNA2CDK2CDK9CCNA1

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-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 — — US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 — — US disclosed
US-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 — — US disclosed
EP-4149928-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2023-03-22 — — EP disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 — — WO disclosed
WO-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 — — 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-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 CCNT1 2493/4885CCNA2 3584/4885CDK2 894/4885

“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.

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