SCHEMBL6728828

SCHEMBL6728828

NCc1cc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4nc5ccc(Cl)cc5[nH]4)CC3)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.47
KLK1 P06870 1/20 0.46
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SLC6A7 Q99884 2/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
LSS P48449 1/20 0.39
MGLL Q99685 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6728830 0.93 F10 (0.48) F10KLK1SLC6A7SLC6A3MAPKAPK2
SCHEMBL6734806 0.93 F10 (0.48) F10KLK1HRH4HRH3SLC6A7
SCHEMBL6729633 0.91 F10 (0.42) F10KLK1HRH4HRH3KMT2A
SCHEMBL6728987 0.90 F10 (0.46) F10KLK1HRH4HRH3SLC6A7
SCHEMBL6731464 0.89 F10 (0.41) F10KLK1HRH4HRH3KMT2A
SCHEMBL6731383 0.87 F10 (0.49) F10KLK1HRH4HRH3SLC6A7
SCHEMBL6421218 0.87 F10 (0.51) F10KLK1HRH4HRH3LSS
SCHEMBL6734802 0.86 F10 (0.48) F10KLK1SLC6A7SLC6A3MAPKAPK2
SCHEMBL6728615 0.85 F10 (0.46) F10KLK1HRH4HRH3
SCHEMBL6729644 0.85 F10 (0.42) F10KLK1MGLLMEN1KMT2A

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 19/4885KLK1 3139/4885HRH4 506/4885

“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.