SCHEMBL3042363

SCHEMBL3042363

COc1cc2c(cc1S(N)(=O)=O)CCN(Cc1cccc(C#N)c1)C2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
DRD4 P21917 4/20 0.52
DRD3 P35462 4/20 0.52
DRD1 P21728 2/20 0.52
DRD5 P21918 2/20 0.52
KDM4E B2RXH2 3/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
REV1 Q9UBZ9 1/20 0.48
KMT2A Q03164 1/20 0.47
ABCB1 P08183 6/20 0.46
ALDH1A1 P00352 1/20 0.46
ABCC1 P33527 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL3050450 0.89 KMT2A (0.55) DRD2DRD4DRD3DRD1DRD5
SCHEMBL3060196 0.86 KDM4E (0.54) KDM4ECA2CA9TDP1REV1
SCHEMBL3059191 0.86 KDM4E (0.54) KDM4ECA2CA9TDP1REV1
SCHEMBL3042196 0.86 DHCR7 (0.58) DRD2DRD4DRD3KDM4ECA2
SCHEMBL3061675 0.86 REV1 (0.61) KDM4ECA2CA9TDP1REV1
SCHEMBL3054744 0.85 KMT2A (0.57) KDM4ECA2CA9TDP1REV1
SCHEMBL3041835 0.85 KDM4E (0.53) DRD2DRD4DRD3KDM4ECA2
SCHEMBL3059179 0.85 KDM4E (0.58) KDM4ECA2CA9TDP1REV1
SCHEMBL3052622 0.85 DRD3 (0.65) DRD2DRD4DRD3DRD1DRD5
SCHEMBL3052643 0.83 KDM4E (0.53) DRD2DRD4DRD3KDM4ECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US claimed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
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 DRD2 2317/4885DRD4 1675/4885DRD3 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.