SCHEMBL23880701

SCHEMBL23880701

Cc1cc(CO)cc(COc2ccc(C3=NCCN3C(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.42
PTGER4 P35408 3/20 0.41
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
THRB P10828 1/20 0.38
ALKBH1 Q13686 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PTPRC P08575 1/20 0.37
PTPRF P10586 1/20 0.37
PTPN1 P18031 1/20 0.37
TSPO P30536 1/20 0.36
DHODH Q02127 1/20 0.36
MAOB P27338 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
MAPT P10636 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL23235880 0.89 PTGER4 (0.47) PARP10PTGER4MMP2ALKBH1HRH3
SCHEMBL34433936 0.87 HDAC8 (0.43) PARP10PTGER4MMP1MMP2MMP9
SCHEMBL23235761 0.87 HDAC8 (0.43) PARP10PTGER4MMP1MMP2MMP9
SCHEMBL23880721 0.87 HRH3 (0.43) PARP10PTGER4THRBALKBH1HRH3
SCHEMBL23902259 0.78 PARP10 (0.41) PARP10MMP1MMP2MMP9HRH3
SCHEMBL34433891 0.77 GPR119 (0.45) PARP10PTGER4MMP1MMP2MMP9
SCHEMBL23235855 0.77 GPR119 (0.45) PARP10PTGER4MMP1MMP2MMP9
SCHEMBL23901944 0.76 TOP2A (0.51) PARP10MMP1MMP2MMP9HRH3
SCHEMBL23880745 0.75 HDAC8 (0.40) PARP10HRH3HDAC8
SCHEMBL34433845 0.75 HDAC8 (0.40) PARP10HRH3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 US 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 PARP10 1888/4885PTGER4 2392/4885MMP1 3804/4885

“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.