SCHEMBL3756960

SCHEMBL3756960

COc1ccc2c(c1)CC(NC1=NCCS1)CC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
ACHE P22303 4/20 0.54
DRD2 P14416 5/20 0.53
DRD3 P35462 5/20 0.53
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
GAA P10253 1/20 0.48
KCNH2 Q12809 1/20 0.48
DRD4 P21917 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 1/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL8056611 0.75 DRD2 (0.68) CA1CA2ACHEDRD2DRD3
SCHEMBL8056603 0.75 DRD2 (0.68) CA1CA2ACHEDRD2DRD3
SCHEMBL8056606 0.75 DRD2 (0.68) CA1CA2ACHEDRD2DRD3
Hydrochloric Acid SCHEMBL10853587 0.74 DRD2 (0.66) CA1CA2ACHEDRD2DRD3
Hydrochloric Acid SCHEMBL11494181 0.70 DRD2 (0.78) CA1CA2ACHEDRD2DRD3
SCHEMBL5833494 0.69 MTNR1A (0.64) CA1CA2ACHEDRD2DRD3
SCHEMBL8394614 0.69 DRD2 (1.00) CA1CA2ACHEDRD2DRD3
SCHEMBL2701521 0.69 DRD2 (1.00) CA1CA2ACHEDRD2DRD3
SCHEMBL5833208 0.69 MTNR1A (0.64) CA1CA2ACHEDRD2DRD3
SCHEMBL2702018 0.69 DRD2 (1.00) CA1CA2ACHEDRD2DRD3

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-20100298138-A1 Aminoazoline and Urea Derivatives for Combating Animal Pests BASF SE (DE) 2010-11-25 US disclosed
EP-2120576-A2 AMINOAZOLINE AND UREA DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2009-11-25 EP disclosed
WO-2008145615-A2 AMINOAZOLINE AND UREA DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-12-04 WO 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-20100298138-A1 Aminoazoline and Urea Derivatives for Combating Animal Pests AADAT, INMT, SLC14A1 CA1 2984/4885CA2 2001/4885ACHE 67/4885

“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.