SCHEMBL9948819

SCHEMBL9948819

Cc1ccc(S(=O)(=O)n2cc(CBr)c3cccnc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.55
L3MBTL1 Q9Y468 3/20 0.54
CYP19A1 P11511 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
ALK Q9UM73 1/20 0.42
KDM4E B2RXH2 1/20 0.42
UBE2N P61088 1/20 0.42
POLB P06746 1/20 0.41
ALDH3A1 P30838 1/20 0.41
HTT P42858 1/20 0.41
NOD1 Q9Y239 1/20 0.41
COMT P21964 1/20 0.41
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 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
SCHEMBL15053127 0.90 HTR6 (0.53) HTR6L3MBTL1CYP19A1PTGDR2CCNE1
SCHEMBL28325459 0.90 HTR6 (0.57) HTR6L3MBTL1CYP19A1PTGDR2CCNE1
SCHEMBL2024287 0.89 HTR6 (0.56) HTR6L3MBTL1CYP19A1PTGDR2CCNE1
SCHEMBL9948997 0.88 HTR6 (0.64) HTR6PTGDR2CCNE1CDK2
SCHEMBL2134155 0.88 HTR6 (0.55) HTR6L3MBTL1CYP19A1PTGDR2CCNE1
SCHEMBL9260029 0.84 PTGDR2 (0.62) HTR6L3MBTL1CYP19A1PTGDR2
SCHEMBL29605109 0.83 L3MBTL1 (0.58) HTR6L3MBTL1CYP19A1PTGDR2KDM4E
SCHEMBL1668563 0.83 L3MBTL1 (0.58) HTR6L3MBTL1CYP19A1PTGDR2KDM4E
SCHEMBL1779514 0.83 L3MBTL1 (0.60) HTR6L3MBTL1CYP19A1PTGDR2KDM4E
SCHEMBL13302164 0.82 L3MBTL1 (0.59) HTR6L3MBTL1CYP19A1PTGDR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 HTR6 1928/4885L3MBTL1 2291/4885CYP19A1 1037/4885

“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.