SCHEMBL6728346

SCHEMBL6728346

O=C(c1ncc(-c2cc[n+]([O-])cc2)cn1)N1CCN(S(=O)(=O)c2nc3ccc(Cl)cc3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.45
HRH3 Q9Y5N1 1/20 0.45
F10 P00742 7/20 0.41
ALOX15 P16050 1/20 0.41
KDM1A O60341 1/20 0.39
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KLK1 P06870 1/20 0.37
MGLL Q99685 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 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
SCHEMBL6728350 0.93 OPRM1 (0.40) HRH4HRH3F10KMT2ALMNA
SCHEMBL6727882 0.90 HRH4 (0.42) HRH4HRH3F10ALOX15KDM1A
SCHEMBL6728611 0.89 HRH4 (0.46) HRH4HRH3F10ALOX15KDM1A
SCHEMBL6731759 0.89 HRH4 (0.43) HRH4HRH3F10ALOX15KDM1A
SCHEMBL6731719 0.89 F10 (0.49) HRH4HRH3F10ALOX15KMT2A
SCHEMBL6731532 0.89 ALDH1A1 (0.46) HRH4HRH3F10ALOX15KMT2A
SCHEMBL6726101 0.88 HRH4 (0.42) HRH4HRH3F10ALOX15KDM1A
SCHEMBL6729401 0.88 HRH4 (0.45) HRH4HRH3F10ALOX15KDM1A
SCHEMBL6729096 0.87 HRH4 (0.42) HRH4HRH3F10ALOX15KDM1A
SCHEMBL6736822 0.86 HRH4 (0.43) HRH4HRH3F10ALOX15KDM1A

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-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 HRH4 506/4885HRH3 1035/4885F10 19/4885

“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.