SCHEMBL3436196

SCHEMBL3436196

CCOC(=O)c1csc(N2CCNC(=O)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
TNK2 Q07912 1/20 0.47
TNK1 Q13470 1/20 0.47
OGA O60502 1/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 3/20 0.46
TSHR P16473 1/20 0.44
POLB P06746 4/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CRBN Q96SW2 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL5378395 0.84 OGA (0.53) PARP1TNK2TNK1OGARAB9A
Hydrochloric Acid SCHEMBL2584196 0.83 MAPT (0.53) PARP1TNK2TNK1OGARAB9A
SCHEMBL3435766 0.81 LDHA (0.43) OGACRBN
SCHEMBL7185606 0.80 ALDH1A1 (0.62) PARP1TNK2TNK1OGARAB9A
SCHEMBL10464669 0.79 ALDH1A1 (0.64) PARP1TNK2TNK1OGARAB9A
SCHEMBL30686547 0.78 OGA (0.46) PARP1TNK2TNK1OGARAB9A
SCHEMBL10464496 0.78 OGA (0.53) PARP1TNK2TNK1OGARAB9A
SCHEMBL10466693 0.78 OGA (0.56) PARP1TNK2TNK1OGARAB9A
SCHEMBL16113724 0.78 OGA (0.49) PARP1TNK2TNK1OGAMAPT
SCHEMBL3436232 0.77 RAB9A (0.55) OGARAB9ANPC1MAPTALDH1A1

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 PARP1 3052/4885TNK2 752/4885TNK1 149/4885

“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.