SCHEMBL6731474

SCHEMBL6731474

O=C(c1ncc(-c2cccc[n+]2[O-])nn1)N1CCN(S(=O)(=O)c2nc3ccc(Cl)cc3[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.41
HRH3 Q9Y5N1 1/20 0.41
F10 P00742 5/20 0.38
ALOX15 P16050 1/20 0.38
GAA P10253 2/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
KLK1 P06870 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6731480 0.94 GAA (0.36) HRH4HRH3F10GAAKMT2A
SCHEMBL6729096 0.90 HRH4 (0.42) HRH4HRH3F10ALOX15GAA
SCHEMBL6726332 0.88 ALDH1A1 (0.42) HRH4HRH3F10ALOX15GAA
SCHEMBL6731239 0.88 HRH4 (0.42) HRH4HRH3F10ALOX15GAA
SCHEMBL6727882 0.87 HRH4 (0.42) HRH4HRH3F10ALOX15GAA
SCHEMBL6729071 0.86 HRH4 (0.43) HRH4HRH3F10ALOX15GAA
SCHEMBL6730185 0.86 METAP2 (0.44) HRH4HRH3F10ALOX15GAA
SCHEMBL6730922 0.85 F10 (0.51) HRH4HRH3F10KLK1
SCHEMBL6730497 0.85 HRH4 (0.41) HRH4HRH3F10ALOX15GAA
SCHEMBL6729634 0.84 F10 (0.47) F10GAALMNASMN1; SMN2ALDH1A1

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.