SCHEMBL10189380

SCHEMBL10189380

CC(C)(C)c1nnn(CCO)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL13665882 0.88 MAOB (0.34) MAOBGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL4404201 0.82 ALDH1A1 (0.41) NPC1RAB9ACYP1A2
SCHEMBL13666847 0.80
SCHEMBL19367985 0.80 LTA4H (0.42)
SCHEMBL21324890 0.80
SCHEMBL4405435 0.78 KMT2A (0.37) NPC1MAPK1RAB9A
SCHEMBL4405805 0.77 TRPV1 (0.39)
SCHEMBL13314663 0.77 HTR1A (0.31)
SCHEMBL14602900 0.77 GUCY1B2 (0.34) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL4408001 0.75 CNR1 (0.32)

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-8097594-B2 Macrolides and ketolides having antimicrobial activity WOCKHARDT LTD. (IN) 2012-01-17 US disclosed
US-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity SINDKHEDKAR MILIND DATTATRAYA 2009-10-01 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-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity CYP51A1, CASP12, LSS MAOB 4249/4885NPC1 121/4885TP53 4723/4885

“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.