SCHEMBL6728895

SCHEMBL6728895

Cc1cc[n+]([O-])c(-c2ncc(C(=O)N3CCN(S(=O)(=O)c4nc5ccc(Cl)cc5[nH]4)CC3)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.44
HRH3 Q9Y5N1 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
F10 P00742 8/20 0.41
ALOX15 P16050 1/20 0.40
KLK1 P06870 1/20 0.40
KDM1A O60341 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6728903 0.94 F10 (0.41) HRH4HRH3L3MBTL1TDP1F10
SCHEMBL6733546 0.90 F10 (0.49) HRH4HRH3L3MBTL1TDP1F10
SCHEMBL6729071 0.89 HRH4 (0.43) HRH4HRH3L3MBTL1TDP1F10
SCHEMBL6730036 0.88 HRH4 (0.43) HRH4HRH3L3MBTL1TDP1F10
SCHEMBL6730649 0.87 HRH4 (0.46) HRH4HRH3L3MBTL1TDP1F10
SCHEMBL6731417 0.86 HRH4 (0.42) HRH4HRH3L3MBTL1TDP1F10
SCHEMBL6725694 0.85 F10 (0.57) HRH4HRH3F10KLK1
SCHEMBL6729401 0.84 HRH4 (0.45) HRH4HRH3L3MBTL1TDP1F10
SCHEMBL6725358 0.83 HRH4 (0.43) HRH4HRH3L3MBTL1TDP1F10
SCHEMBL6731684 0.83 F10 (0.54) F10MEN1KMT2ASMN1; 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 HRH4 506/4885HRH3 1035/4885L3MBTL1 274/4885

“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.