SCHEMBL933358

SCHEMBL933358

O=S(=O)(NC1CCNCC1)c1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
KDR P35968 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
PARG Q86W56 2/20 0.51
PKM P14618 1/20 0.51
HTR1A P08908 2/20 0.51
HTR2B P41595 2/20 0.51
HTR6 P50406 2/20 0.51
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
WNT3 P56703 1/20 0.50
SFRP1 Q8N474 1/20 0.50
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DPP4 P27487 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
Hydrochloric Acid SCHEMBL6793584 0.99 KMT2A (0.60) KMT2ASMN1; SMN2ALDH1A1KDRL3MBTL1
SCHEMBL10194539 0.92 KDR (0.61) KMT2ASMN1; SMN2ALDH1A1KDRL3MBTL1
SCHEMBL3683615 0.89 KMT2A (0.69) KMT2ASMN1; SMN2ALDH1A1L3MBTL1PARG
SCHEMBL23052423 0.86 KMT2A (0.66) KMT2ASMN1; SMN2ALDH1A1L3MBTL1PARG
SCHEMBL2674938 0.85 KMT2A (0.64) KMT2ASMN1; SMN2ALDH1A1L3MBTL1PARG
SCHEMBL1048597 0.82 KMT2A (0.61) KMT2ASMN1; SMN2ALDH1A1L3MBTL1PARG
Trifluoroacetic Acid SCHEMBL2328400 0.82 KDR (0.52) KMT2ASMN1; SMN2ALDH1A1KDRSLC6A2
SCHEMBL1795055 0.81 WNT3 (0.56) SMN1; SMN2ALDH1A1PARGHTR1AWNT3
Hydrochloric Acid SCHEMBL1391941 0.80 WNT3 (0.55) SMN1; SMN2ALDH1A1PARGHTR1AWNT3
SCHEMBL932265 0.79 NPY5R (0.66) ALDH1A1PARGHTR2BHTR6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 WO disclosed
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-8513237-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-20 US disclosed
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-12 US disclosed
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-12 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
EP-2448581-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
US-8163733-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-24 US disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
US-20100234353-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-16 US disclosed
EP-1485354-B1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2008-05-28 EP disclosed
EP-1485354-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP disclosed
WO-2003076401-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 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 (3 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-20100234353-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 KMT2A 29/4885SMN1; SMN2 3807/4885ALDH1A1 1350/4885
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase HDAC1, HDAC3, HDAC11 KMT2A 29/4885SMN1; SMN2 3807/4885ALDH1A1 1350/4885
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 KMT2A 880/4885SMN1; SMN2 3566/4885ALDH1A1 1240/4885

“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.