SCHEMBL4504076

SCHEMBL4504076

O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.83
LMNA P02545 2/20 0.79
ALDH1A1 P00352 4/20 0.66
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
VCAM1 P19320 1/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
CA12 O43570 2/20 0.58
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
SLC12A2 P55011 1/20 0.56
SLC12A5 Q9H2X9 1/20 0.56
AR P10275 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL6476661 0.85 LMNA (0.70) CYP19A1LMNAALDH1A1AR
SCHEMBL3374012 0.85 ALDH1A1 (0.80) CYP19A1LMNAALDH1A1KMT2AMEN1
SCHEMBL7973043 0.85 LMNA (0.66) CYP19A1LMNAALDH1A1CA1CA2
SCHEMBL4181150 0.84 CYP19A1 (0.65) CYP19A1LMNAALDH1A1KMT2AMEN1
SCHEMBL29791528 0.84 CYP19A1 (0.65) CYP19A1LMNAALDH1A1KMT2AMEN1
SCHEMBL18230026 0.84 CYP19A1 (0.69) CYP19A1LMNAALDH1A1KMT2AMEN1
SCHEMBL30649118 0.83 KMT2A (0.71) CYP19A1LMNAALDH1A1KMT2AMEN1
SCHEMBL4389696 0.83 KMT2A (0.71) CYP19A1LMNAALDH1A1KMT2AMEN1
SCHEMBL8560152 0.83 CYP19A1 (0.60) CYP19A1LMNAALDH1A1VCAM1CA12
SCHEMBL4292760 0.82 ALDH1A1 (0.68) CYP19A1LMNAALDH1A1KMT2AMEN1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108117499-B Preparation method of alpha aryl amidine imine derivative 上海应用技术大学 2020-10-09 CN claimed
CN-108117499-A A kind of preparation method of α aryl amidine imine derivative 上海应用技术大学 2018-06-05 CN claimed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
CN-116783160-A Libraries of compounds 中外制药株式会社 2023-09-19 CN disclosed
CN-108117499-A A kind of preparation method of α aryl amidine imine derivative 上海应用技术大学 2018-06-05 CN disclosed
US-20160311804-A1 Process BIAL-PORTELA & CA, S.A. (PT) 2016-10-27 US disclosed
US-20160311804-A1 Process BIAL-PORTELA & CA, S.A. (PT) 2016-10-27 US disclosed
US-9346751-B2 Process for preparing 1, 3-Dihydroimidazole-2-Thione Derivatives BIAL-PORTELA & CA, S.A. (PT) 2016-05-24 US disclosed
US-9346751-B2 Process for preparing 1, 3-Dihydroimidazole-2-Thione Derivatives BIAL-PORTELA & CA, S.A. (PT) 2016-05-24 US disclosed
US-20140221668-A1 Process BIAL-PORTELA & CA, S.A. (PT) 2014-08-07 US disclosed
US-20140221668-A1 Process BIAL-PORTELA & CA, S.A. (PT) 2014-08-07 US disclosed
US-20070054224-A1 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. 2007-03-08 US disclosed
US-20070054224-A1 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. 2007-03-08 US disclosed
US-7183044-B2 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 2007-02-27 US disclosed
US-7183044-B2 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 2007-02-27 US disclosed
US-7175976-B2 Silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 2007-02-13 US disclosed
US-7175976-B2 Silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 2007-02-13 US disclosed
EP-1321454-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL Kaneka Corporation (JP) 2003-06-25 EP disclosed
US-6515179-B2 Reacting nitrobenzenesulfonyl group containing compound contacting with alkali metal alkoxide KANEKA CORPORATION (JP) 2003-02-04 US disclosed
US-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL KANEKA CORPORATION (JP) 2003-01-09 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 (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-20140221668-A1 Process DHPS, CYP3A5, SULT1E1 CYP19A1 1717/4885LMNA 4254/4885ALDH1A1 336/4885
US-20160311804-A1 Process DHPS, CYP3A5, SULT1E1 CYP19A1 1717/4885LMNA 4254/4885ALDH1A1 336/4885
US-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL NAAA, TST, AADAC CYP19A1 1518/4885LMNA 4195/4885ALDH1A1 2030/4885

“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.