SCHEMBL3436754

SCHEMBL3436754

CCCNC(=O)c1coc(N(C)CCOC)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
NAPEPLD Q6IQ20 2/20 0.36
POLB P06746 1/20 0.35
TBXA2R P21731 1/20 0.34
MAOB P27338 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 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
SCHEMBL2771127 0.81 CFTR (0.37) KCNQ3KCNQ2
SCHEMBL2077461 0.80 CYP1A2 (0.41) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13270662 0.78 SLC9A5 (0.36) KCNQ3KCNQ2
SCHEMBL13634746 0.76 KMT2A (0.46) ALDH1A1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL3436608 0.75 GAA (0.43) HPGDALDH1A1RAB9ANPC1TP53
SCHEMBL3551658 0.73 KCNQ3 (0.33) KCNQ3KCNQ2
SCHEMBL162560 0.72 NPC1 (0.46) HPGDALDH1A1RAB9ANPC1TP53
SCHEMBL2304408 0.72 POLB (0.47) HPGDALDH1A1RAB9ANPC1TP53
SCHEMBL13634341 0.71 HCAR2 (0.33) KDM4E
SCHEMBL13634385 0.71

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HPGD 1166/4885ALDH1A1 975/4885RAB9A 4401/4885

“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.