SCHEMBL3436341

SCHEMBL3436341

[C-]#[N+]C1CCN(c2ccc(C(=O)O)cc2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 3/20 0.51
POLB P06746 3/20 0.51
NR4A1 P22736 1/20 0.51
MYC P01106 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
PTPN7 P35236 1/20 0.49
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR7 P34969 4/20 0.42
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TTR P02766 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1664707 0.83 HSD17B10 (0.56) HSD17B10KDM4EGAAPOLBNR4A1
SCHEMBL3436342 0.80 ALDH1A1 (0.56) HSD17B10KDM4EGAAPOLBNR4A1
SCHEMBL30683883 0.79 GAA (0.64) HSD17B10KDM4EGAAPOLBNR4A1
SCHEMBL29113608 0.79 GAA (0.64) HSD17B10KDM4EGAAPOLBNR4A1
SCHEMBL3554546 0.78 KDM4E (0.51) HSD17B10KDM4EGAAPOLBNR4A1
SCHEMBL581026 0.78 GAA (0.67) HSD17B10KDM4EGAAPOLBNR4A1
SCHEMBL12752917 0.77 HSD17B10 (0.57) HSD17B10KDM4EGAAPOLBNR4A1
SCHEMBL2303906 0.76 HSD17B10 (0.55) HSD17B10KDM4EGAAPOLBNR4A1
SCHEMBL2772004 0.76 ALDH1A1 (0.56) HSD17B10KDM4EGAAPOLBMYC
SCHEMBL3436343 0.74 ADAM10 (0.41) KDM4EGAANR4A1HTR7HTT

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 HSD17B10 4247/4885KDM4E 1834/4885GAA 3904/4885

“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.