SCHEMBL1241201

SCHEMBL1241201

O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccc(Br)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
HTT P42858 1/20 0.60
LMNA P02545 1/20 0.57
F13A1 P00488 1/20 0.57
TGM2 P21980 1/20 0.57
CYP19A1 P11511 1/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 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
SCHEMBL3374012 0.89 ALDH1A1 (0.80) ALDH1A1HTTLMNAF13A1TGM2
SCHEMBL17241386 0.87 ALDH1A1 (0.73) ALDH1A1HTTLMNAF13A1TGM2
SCHEMBL3539201 0.84 CYP19A1 (0.75) ALDH1A1HTTLMNAF13A1TGM2
SCHEMBL4389696 0.83 KMT2A (0.71) ALDH1A1HTTLMNACYP19A1KMT2A
SCHEMBL30649118 0.83 KMT2A (0.71) ALDH1A1HTTLMNACYP19A1KMT2A
SCHEMBL4292760 0.81 ALDH1A1 (0.68) ALDH1A1HTTLMNACYP19A1KMT2A
SCHEMBL30089460 0.80 KMT2A (0.64) ALDH1A1HTTLMNACYP19A1KMT2A
SCHEMBL5630526 0.80 KMT2A (0.64) ALDH1A1HTTLMNACYP19A1KMT2A
SCHEMBL31418776 0.80 ALDH1A1 (0.67) ALDH1A1HTTLMNACYP19A1KMT2A
SCHEMBL31284709 0.80 KMT2A (0.68) ALDH1A1HTTLMNAF13A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 ALDH1A1 3224/4885HTT 2182/4885LMNA 26/4885

“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.