SCHEMBL9948843

SCHEMBL9948843

COc1ccc2c(c1)c(CBr)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.48
KMT2A Q03164 5/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL13947533 0.83 HTR6 (0.48) HTR6KMT2AMAPTMEN1PTGDR2
SCHEMBL9949066 0.80 SLC9A1 (0.50) HTR6MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3030572 0.77 PPARG (0.62) HTR6KMT2AMAPTALDH1A1PTGDR2
SCHEMBL6962516 0.76 MAPT (0.45) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL6975027 0.76 HTR6 (0.45) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL6969933 0.76 ALDH1A1 (0.45) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL9949091 0.75 HTR6 (0.72) HTR6PPARGPPARDPPARA
SCHEMBL16099804 0.75 HTR6 (0.47) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL6977585 0.75 MAPT (0.47) HTR6KMT2AMAPTKDM4EMEN1
SCHEMBL6977194 0.75 HTR6 (0.45) HTR6KMT2AMAPTKDM4EMEN1

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 1928/4885KMT2A 1555/4885MAPT 4402/4885

“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.