SCHEMBL3435668

SCHEMBL3435668

O=[N+]([O-])c1ccccc1C1=CCNCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTR2C P28335 2/20 0.42
HTR6 P50406 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
DRD2 P14416 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3B P49841 1/20 0.38
PTPN1 P18031 1/20 0.37
S100A4 P26447 2/20 0.36
PTPRC P08575 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 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
SCHEMBL4790049 0.91 HTR2C (0.53) ALDH1A1TDP1HTR2CHTR6SIGMAR1
Hydrochloric Acid SCHEMBL1513499 0.91 HTR2C (0.53) ALDH1A1TDP1HTR2CHTR6SIGMAR1
SCHEMBL15153190 0.80 ALDH1A1 (0.50) ALDH1A1TDP1MAPTKDM4EHSD17B10
Tert-Butyl Formate SCHEMBL27769928 0.79 HTR6 (0.43) ALDH1A1TDP1HTR2CHTR6SIGMAR1
SCHEMBL4855882 0.78 PTGS2 (0.49) ALDH1A1TDP1MAPTKDM4EPTPN1
SCHEMBL3435559 0.78 ALDH1A1 (0.45) ALDH1A1TDP1HTR2CHTR6MAPT
SCHEMBL4849981 0.77 PTGS2 (0.48) ALDH1A1TDP1MAPTKDM4EPTPN1
SCHEMBL14704897 0.73 HTR2C (0.49) ALDH1A1HTR2CHTR6SIGMAR1MAPT
SCHEMBL14904919 0.73 HTR2C (0.49) ALDH1A1HTR2CHTR6SIGMAR1MAPT
SCHEMBL17155169 0.73 HTR2C (0.45) ALDH1A1HTR2CHTR6SIGMAR1MAPT

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 3 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
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALDH1A1 975/4885TDP1 1881/4885HTR2C 1146/4885

“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.