SCHEMBL22010774

SCHEMBL22010774

COC(=O)C[C@@H](C)Nc1cc(Br)cnc1N

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
SHMT2 P34897 1/20 0.34
KCNA5 P22460 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL21963969 1.00 KMT2A (0.37) KMT2AHTTMEN1POLBHSD17B10
SCHEMBL30161448 1.00 KMT2A (0.37) KMT2AHTTMEN1POLBHSD17B10
SCHEMBL21963842 0.81 MAPT (0.38) HTTPOLBKCNA5ALDH1A1GAA
SCHEMBL24923428 0.81 MAPT (0.38) HTTPOLBKCNA5ALDH1A1GAA
SCHEMBL22129298 0.77 ADRB2 (0.33) HTTHSD17B10KDM4EALDH1A1GAA
SCHEMBL22129299 0.77 ADRB2 (0.33) HTTHSD17B10KDM4EALDH1A1GAA
SCHEMBL22129305 0.77 ADRB2 (0.33) HTTHSD17B10KDM4EALDH1A1GAA
SCHEMBL19836479 0.74 KMT2A (0.50) KMT2AHTTMEN1POLBKDM4E
SCHEMBL28609306 0.73 KMT2A (0.40) KMT2AHTTMEN1POLBHSD17B10
SCHEMBL22011048 0.73 HSD17B10 (0.42) KMT2AHTTMEN1POLBHSD17B10

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-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
WO-2022268890-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2022-12-29 WO disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 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-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC KMT2A 3401/4885HTT 2003/4885MEN1 585/4885

“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.