SCHEMBL3050147

SCHEMBL3050147

COc1cc2c(cc1O)CCN(C(=O)c1ccc(C#N)cc1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
DRD3 P35462 5/20 0.49
TMEM97 Q5BJF2 1/20 0.49
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
CHEK1 O14757 1/20 0.42
MAPT P10636 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
CA1 P00915 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40

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
SCHEMBL3051154 0.89 CA2 (0.53) CA2CA9DRD3TMEM97DRD2
SCHEMBL3057016 0.87 CA2 (0.60) CA2CA9DRD3TMEM97DRD2
SCHEMBL3052647 0.84 CA2 (0.75) CA2CA9MAPTMEN1KMT2A
SCHEMBL3054860 0.83 CA2 (0.55) CA2CA9DRD3DRD4MEN1
SCHEMBL3056011 0.82 CA2 (0.51) CA2CA9DRD3DRD2DRD4
SCHEMBL3051291 0.82 CA2 (0.57) CA2CA9DRD3TMEM97DRD2
SCHEMBL3050834 0.81 CA2 (0.58) CA2CA9DRD2MAPTHTR1A
SCHEMBL3061743 0.78 ALDH1A1 (0.59) CA2CA9DRD3TMEM97DRD2
SCHEMBL3062616 0.77 CA2 (0.56) CA2CA9DRD3DRD2DRD4
SCHEMBL3051349 0.74 CA2 (0.63) CA2CA9MAPTCA1CA14

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-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC CA2 1077/4885CA9 1002/4885DRD3 3408/4885

“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.