SCHEMBL22010531

SCHEMBL22010531

CNCc1c(C)sc2c(Oc3cccc(OC)c3)cccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.40
SLC6A4 P31645 9/20 0.38
HTR2A P28223 6/20 0.38
KCNH2 Q12809 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL22010529 0.78 KMT2A (0.44) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL31033278 0.78 KMT2A (0.44) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL31033275 0.76 KDM4E (0.38) MTNR1BKDM4EPOLBMAPK1MEN1
SCHEMBL31033279 0.76 MTNR1B (0.40) MTNR1BSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL21963791 0.76 MTNR1B (0.40) MTNR1BSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL31033285 0.76 MTNR1B (0.40) MTNR1BSLC6A4HTR2AKCNH2SLC6A2
SCHEMBL24061764 0.67 CHRM2 (0.60) CHRM2CHRM1CHRM3KDM4EMEN1
SCHEMBL6947521 0.65 SLC6A4 (0.64) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5609585 0.64 AR (0.55) MTNR1BKDM4EPOLBMAPK1MEN1
SCHEMBL24723817 0.64 MTNR1B (0.58) MTNR1BKDM4EPOLBMAPK1MEN1

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 2 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-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 MTNR1B 4234/4885SLC6A4 4369/4885HTR2A 4322/4885

“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.