SCHEMBL22010898

SCHEMBL22010898

CNC(=O)c1oc2cccc(N)c2c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
EDNRA P25101 1/20 0.43
KDM1A O60341 11/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
MKNK2 Q9HBH9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL23532115 0.83 KDM1A (0.60) MMP2MMP13EDNRAKDM1ANPC1
SCHEMBL27593866 0.82 EDNRA (0.62) MMP2MMP13EDNRANPC1RAB9A
SCHEMBL23532178 0.81 KDM1A (0.52) EDNRAKDM1ANPC1RAB9AMAPT
SCHEMBL20305366 0.79 EDNRA (0.71) MMP2MMP13EDNRANPC1RAB9A
SCHEMBL3609409 0.76 RAB9A (0.72) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4109825 0.76 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL3618186 0.74 EDNRA (0.56) EDNRAKDM1ANPC1RAB9AMAPT
SCHEMBL28381838 0.72 MAPT (0.62) MMP2MMP13EDNRAKDM1ANPC1
SCHEMBL21665556 0.70 CYP3A4 (0.48) MMP2MMP13EDNRASMN1; SMN2TSHR
SCHEMBL2299529 0.69 PLK1 (0.50) MMP2NPC1RAB9AMAPTTP53

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 MMP2 2588/4885MMP13 3189/4885EDNRA 3664/4885

“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.