SCHEMBL2295550

SCHEMBL2295550

CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.59
TSHR P16473 2/20 0.56
HTT P42858 4/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PKM P14618 1/20 0.53
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL1230603 0.90 KMT2A (0.56) KMT2AMEN1TSHRHTTLMNA
SCHEMBL6646760 0.89 KMT2A (0.67) KMT2ATSHRHTTLMNAALDH1A1
SCHEMBL5875796 0.89 MEN1 (0.60) KMT2AMEN1TSHRHTTLMNA
Hydrochloric Acid SCHEMBL2290641 0.89 KMT2A (0.56) KMT2AMEN1TSHRHTTLMNA
Acetic Acid SCHEMBL1232023 0.88 KMT2A (0.55) KMT2AMEN1TSHRHTTLMNA
SCHEMBL6880703 0.88 KMT2A (0.55) KMT2AMEN1TSHRHTTLMNA
SCHEMBL13173304 0.86 KMT2A (0.57) KMT2AMEN1TSHRHTTLMNA
SCHEMBL1668350 0.84 KMT2A (0.56) KMT2AMEN1TSHRHTTLMNA
SCHEMBL13173290 0.83 PKM (0.57) KMT2AMEN1TSHRHTTALDH1A1
SCHEMBL6196273 0.81 KMT2A (0.56) KMT2ATSHRHTTLMNAALDH1A1

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-8410098-B2 N-{1-[3-(2-ethoxy-5-(4-ethylpiperazinyl)sulfonylphenyl)-4,5-dihydro-5-OXO-1,2,4-triazin-6-yl]ethyl}butyramide, the preparation method and use thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2013-04-02 US disclosed
US-8410098-B2 N-{1-[3-(2-ethoxy-5-(4-ethylpiperazinyl)sulfonylphenyl)-4,5-dihydro-5-OXO-1,2,4-triazin-6-yl]ethyl}butyramide, the preparation method and use thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2013-04-02 US disclosed
EP-2228370-B1 N-{1-[3-(2-ETHOXY-5-(4-ETHYLPIPERAZINYL)BENZENESULFONYL)-4,5-DIHYDRO-5-OXO-1,2,4-TRIAZIN-6-YL]ETHYL}BUTYRAMIDE, THE PREPARATION METHOD AND USE THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2012-05-23 EP disclosed
EP-2228370-B1 N-{1-[3-(2-ETHOXY-5-(4-ETHYLPIPERAZINYL)BENZENESULFONYL)-4,5-DIHYDRO-5-OXO-1,2,4-TRIAZIN-6-YL]ETHYL}BUTYRAMIDE, THE PREPARATION METHOD AND USE THEREOF TOPHARMAN SHANGHAI CO LTD (CN) 2012-05-23 EP disclosed
US-20110190495-A1 N-BUTYRAMIDE, THE PREPARATION METHOD AND USE THEREOF TOPHARMAN SHANGHAI CO., LTD. (CN) 2011-08-04 US disclosed
US-20110190495-A1 N-BUTYRAMIDE, THE PREPARATION METHOD AND USE THEREOF TOPHARMAN SHANGHAI CO., LTD. (CN) 2011-08-04 US disclosed
EP-2228370-A1 N-{1-Ý3-(2-ETHOXY-5-(4-ETHYLPIPERAZINYL)BENZENESULFONYL)-4,5-DIHYDRO-5-OXO-1,2,4-TRIAZIN-6-YL¨ETHYL}BUTYRAMIDE, THE PREPARATION METHOD AND USE THEREOF Topharman Shanghai Co., Ltd. (CN) 2010-09-15 EP disclosed
EP-2228370-A1 N-{1-Ý3-(2-ETHOXY-5-(4-ETHYLPIPERAZINYL)BENZENESULFONYL)-4,5-DIHYDRO-5-OXO-1,2,4-TRIAZIN-6-YL¨ETHYL}BUTYRAMIDE, THE PREPARATION METHOD AND USE THEREOF Topharman Shanghai Co., Ltd. (CN) 2010-09-15 EP 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-20110190495-A1 N-BUTYRAMIDE, THE PREPARATION METHOD AND USE THEREOF CYP3A5, PDE3A, PDE5A KMT2A 3337/4885MEN1 4553/4885TSHR 3754/4885

“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.