SCHEMBL6197220

SCHEMBL6197220

CC1C(C(=O)NCCN2CCOCC2)N(C(=O)c2ccc(-c3cc[n+]([O-])cc3)cc2)CCN1S(=O)(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CD274 Q9NZQ7 2/20 0.39
HTR1A P08908 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KCNH2 Q12809 1/20 0.39
F10 P00742 2/20 0.38
F2 P00734 1/20 0.38
KMT2A Q03164 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTGS2 P35354 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6199800 0.85 F10 (0.52) ALDH1A1CD274HTR1AMAOAMAOB
SCHEMBL6196557 0.81 F10 (0.41) F10F2LMNACYP2C19CYP2D6
SCHEMBL6197225 0.79 F10 (0.38) KCNH2F10F2
SCHEMBL6200107 0.72 F10 (0.48) F10F2
Hydrochloric Acid SCHEMBL6198414 0.71 F10 (0.44) F10F2
SCHEMBL6196846 0.70 F10 (0.40) F10F2CYP2C19CYP2D6CYP3A4
SCHEMBL6195646 0.69 F10 (0.47) ALDH1A1F10F2KMT2ALMNA
SCHEMBL6198938 0.69 F10 (0.51) F10F2
SCHEMBL6738164 0.68 ALDH1A1 (0.42) ALDH1A1F10F2KMT2ASMN1; SMN2
SCHEMBL6199459 0.68 F10 (0.57) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 EP disclosed
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 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-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 ALDH1A1 2493/4885CD274 3670/4885HTR1A 359/4885

“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.