SCHEMBL3436040

SCHEMBL3436040

NC(=S)N1CCC(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AKR1C3 P42330 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C19 P33261 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
SCHEMBL487980 0.82 LMNA (0.50) LMNAL3MBTL1MAPTRAB9APOLB
SCHEMBL8151204 0.80 LMNA (0.48) LMNAL3MBTL1MAPTRAB9ACA12
Hydrochloric Acid SCHEMBL27752296 0.80 LMNA (0.48) LMNAL3MBTL1MAPTRAB9APOLB
SCHEMBL6220609 0.78 CPN1 (0.51) LMNAL3MBTL1MAPTRAB9APOLB
Hydrochloric Acid SCHEMBL7278304 0.77 CPN1 (0.50) LMNAL3MBTL1MAPTRAB9APOLB
SCHEMBL587681 0.77 LMNA (0.53) LMNAL3MBTL1MAPTRAB9APOLB
SCHEMBL28764939 0.76 ALDH1A1 (0.50) LMNACA12CA1CA2CA9
SCHEMBL26444794 0.75 LMNA (0.52) LMNAL3MBTL1MAPTRAB9APOLB
SCHEMBL975740 0.74 CA12 (0.41) LMNACA12CA1CA2CA9
SCHEMBL28435105 0.74 CA12 (0.41) LMNACA12CA1CA2CA9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426774-B Azolecarboxamide derivative ASTELLAS PHARMA INC 2012-04-25 CN disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
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
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN disclosed
CN-101166734-A Novel aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO INC (JP) 2008-04-23 CN 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 LMNA 4712/4885L3MBTL1 3267/4885MAPT 1330/4885

“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.