SCHEMBL6731040

SCHEMBL6731040

O=C(c1nc(=O)c(-c2cc[n+]([O-])cc2)n[nH]1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.47
F2 P00734 3/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL6728482 0.90 F10 (0.53) F10F2ALDH1A1L3MBTL1GAA
Hydrochloric Acid SCHEMBL6733984 0.89 F10 (0.52) F10F2ALDH1A1L3MBTL1GAA
SCHEMBL5733741 0.80 F10 (0.59) F10ATM
SCHEMBL6734093 0.78 F10 (0.49) F10F2ALDH1A1GAALMNA
SCHEMBL6730880 0.78 F10 (0.53) F10F2L3MBTL1LMNASMN1; SMN2
SCHEMBL6728607 0.77 F10 (0.49) F10F2ALDH1A1L3MBTL1LMNA
SCHEMBL6726199 0.77 F10 (0.54) F10F2ALDH1A1L3MBTL1GAA
SCHEMBL6734790 0.76 ALDH1A1 (0.56) F10F2ALDH1A1L3MBTL1GAA
SCHEMBL6194632 0.76 F10 (0.53) F10F2L3MBTL1LMNASMN1; SMN2
SCHEMBL6725557 0.76 F10 (0.55) F10F2ALDH1A1LMNASMN1; SMN2

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 F10 19/4885F2 1/4885ALDH1A1 1316/4885

“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.