SCHEMBL660576

SCHEMBL660576

CSC1=C(C(=O)NNS(C)(=O)=O)CC=CN1CC(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL660184 0.88 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL287773 0.77 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2D6GAAMEN1
SCHEMBL661266 0.74 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2D6GAAMEN1
SCHEMBL660215 0.73 GAA (0.39) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL287153 0.72 ALDH1A1 (0.41) ALDH1A1GAAKMT2ASMN1; SMN2TSHR
SCHEMBL659786 0.70 ALDH1A1 (0.38) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL27871687 0.70 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2D6MEN1KMT2A
Hydrochloric Acid SCHEMBL28481984 0.70 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2D6GAAMEN1
SCHEMBL287270 0.69 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6GAAMEN1
SCHEMBL287198 0.69 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2D6GAAMEN1

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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885CYP1A2 2499/4885CYP2D6 1844/4885

“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.