SCHEMBL2825482

SCHEMBL2825482

CN(C1CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
ACHE P22303 1/20 0.51
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL19898226 0.93 KMT2A (0.50) KMT2AMEN1ACHEHTR2AHTR2C
SCHEMBL19898225 0.93 KMT2A (0.50) KMT2AMEN1ACHEHTR2AHTR2C
SCHEMBL7750057 0.93 KMT2A (0.56) KMT2AMEN1ACHEHTR2AHTR2C
SCHEMBL2108242 0.90 KMT2A (0.50) KMT2AMEN1ACHEHTR2AHTR2C
SCHEMBL4534838 0.90 KMT2A (0.53) KMT2AMEN1ACHEHTR2AHTR2C
Hydrochloric Acid SCHEMBL2106951 0.89 KMT2A (0.49) KMT2AMEN1ACHEHTR2AHTR2C
SCHEMBL22042598 0.88 KMT2A (0.48) KMT2AMEN1ACHEHTR2AHTR2C
SCHEMBL31092647 0.88 KMT2A (0.48) KMT2AMEN1ACHEHTR2AHTR2C
SCHEMBL858511 0.87 KMT2A (0.52) KMT2AMEN1ACHEALDH1A1LMNA
SCHEMBL4121837 0.85 SLC6A2 (0.56) KMT2AMEN1ACHEHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
CN-101687822-B Di(arylamino)aryl compound ASTELLAS PHARMA INC 2012-11-07 CN disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed
CN-101687822-A Di(arylamino)aryl compound ASTELLAS PHARMA INC 2010-03-31 CN 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 (2 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK KMT2A 1392/4885MEN1 3439/4885ACHE 4249/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK KMT2A 1392/4885MEN1 3439/4885ACHE 4249/4885

“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.