SCHEMBL911071

SCHEMBL911071

NC(=O)c1ccc(Cl)cc1SCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 2/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA3 P07451 3/20 0.61
CA4 P22748 3/20 0.61
CA6 P23280 3/20 0.61
CA7 P43166 3/20 0.61
CA9 Q16790 3/20 0.61
CA13 Q8N1Q1 3/20 0.61
CA14 Q9ULX7 3/20 0.61
CA5B Q9Y2D0 3/20 0.61

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
SCHEMBL910935 0.88 CA2 (0.61) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL28109773 0.82 KMT2A (0.64) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL13988808 0.82 PTPRG (0.48) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL292247 0.81 KMT2A (0.61) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL8013890 0.80 KDM4E (0.47) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL28759386 0.77 AR (0.47) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL25405523 0.76 CA2 (0.57) MEN1KMT2APOLBALDH1A1CYP1A2
SCHEMBL10669043 0.76 ALDH1A1 (0.49) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL11822185 0.75 PTPRC (0.55) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL28838076 0.74 MEN1 (0.58) MEN1KMT2AALDH1A1CYP3A4ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
EP-1934212-A1 9-AZABICYCLO [3 . 3 . 1]NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. Organon (NL) 2008-06-25 EP disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039563-A1 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-04-12 WO disclosed
WO-2007039563-A1 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-04-12 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-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives AZI2, TPMT, TET3 MEN1 1510/4885KMT2A 844/4885POLB 649/4885

“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.