SCHEMBL3436849

SCHEMBL3436849

CCCNC(=O)c1csc(N2CC(OC)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
CNR2 P34972 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
SLC8A1 P32418 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACKR3 P25106 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL3436842 0.91 HRH3 (0.44) GAAHRH3SLC8A1ACKR3
SCHEMBL3436586 0.80 POLB (0.47) GAANPC1TP53RAB9ASMN1; SMN2
SCHEMBL3436607 0.80 ACKR3 (0.42) GAAHRH3SLC8A1POLBACKR3
SCHEMBL3436605 0.80 ACKR3 (0.42) GAAHRH3SLC8A1POLBACKR3
SCHEMBL3436845 0.80 ACKR3 (0.41) GAAHRH3SLC8A1HIF1AMAPKAPK2
SCHEMBL3436606 0.80 HRH3 (0.48) GAAHRH3SLC8A1ACKR3
SCHEMBL3436588 0.80 ACKR3 (0.43) GAAHRH3SLC8A1POLBACKR3
SCHEMBL2770634 0.79 PTGER1 (0.41) GAAHRH3SMN1; SMN2CYP1A2CYP2C19
SCHEMBL3436059 0.79 RAB9A (0.50) GAAHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL3436416 0.78 L3MBTL1 (0.53) KMT2A

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 GAA 3904/4885CNR2 23/4885HRH3 338/4885

“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.