SCHEMBL6731334

SCHEMBL6731334

O=C(c1ccc(-c2cc[n+]([O-])cc2)nn1)N1CCN(S(=O)(=O)c2nc3ccc(Cl)cc3[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALOX15 P16050 1/20 0.40
F10 P00742 7/20 0.39
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KLK1 P06870 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL6731338 0.93 F10 (0.39) HRH4HRH3F10ALDH1A1KMT2A
SCHEMBL6726324 0.89 ALDH1A1 (0.49) HRH4HRH3ALOX15F10ALDH1A1
SCHEMBL6736822 0.88 HRH4 (0.43) HRH4HRH3ALOX15F10KDM1A
SCHEMBL6727882 0.87 HRH4 (0.42) HRH4HRH3ALOX15F10KDM1A
SCHEMBL6735789 0.87 HRH4 (0.42) HRH4HRH3ALOX15F10KDM1A
SCHEMBL6731239 0.86 HRH4 (0.42) HRH4HRH3ALOX15F10KDM1A
SCHEMBL6731719 0.85 F10 (0.49) HRH4HRH3ALOX15F10KMT2A
SCHEMBL6729824 0.84 F10 (0.53) HRH4HRH3F10KLK1
SCHEMBL6729401 0.83 HRH4 (0.45) HRH4HRH3ALOX15F10KDM1A
SCHEMBL6728346 0.83 HRH4 (0.45) HRH4HRH3ALOX15F10KDM1A

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 1035/4885ALOX15 303/4885

“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.