SCHEMBL4168324

SCHEMBL4168324

COc1ccc(N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ncccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HSD11B1 P28845 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SOAT1 P35610 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CCR1 P32246 1/20 0.39
CCR2 P41597 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
CACNA1S Q13698 2/20 0.38
SLC22A1 O15245 1/20 0.38
CACNA1F O60840 1/20 0.38
ABCB11 O95342 1/20 0.38
ABCB1 P08183 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL4168318 1.00 SMN1; SMN2 (0.43) SMN1; SMN2HSD11B1NPSR1SOAT1ALDH1A1
SCHEMBL4168315 1.00 SMN1; SMN2 (0.43) SMN1; SMN2HSD11B1NPSR1SOAT1ALDH1A1
SCHEMBL4673235 0.84 NPSR1 (0.42) SMN1; SMN2HSD11B1NPSR1SOAT1ALDH1A1
SCHEMBL4673246 0.84 NPSR1 (0.42) SMN1; SMN2HSD11B1NPSR1SOAT1ALDH1A1
SCHEMBL4673240 0.84 NPSR1 (0.42) SMN1; SMN2HSD11B1NPSR1SOAT1ALDH1A1
SCHEMBL8125732 0.82 SOAT1 (0.53) SMN1; SMN2HSD11B1NPSR1SOAT1ALDH1A1
SCHEMBL6651639 0.82 SOAT1 (0.53) SMN1; SMN2HSD11B1NPSR1SOAT1ALDH1A1
SCHEMBL6651637 0.82 SOAT1 (0.53) SMN1; SMN2HSD11B1NPSR1SOAT1ALDH1A1
SCHEMBL4168201 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HSD11B1NPSR1SOAT1L3MBTL1
SCHEMBL4168197 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HSD11B1NPSR1SOAT1L3MBTL1

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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 EP 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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 SMN1; SMN2 1918/4885HSD11B1 1690/4885NPSR1 3113/4885

“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.