SCHEMBL6729341

SCHEMBL6729341

O=C(c1ccc(-c2cc[n+]([O-])cc2)cc1)N1CCN(S(=O)(=O)c2[nH]c3ccc(Cl)cc3c2CO)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.46
KLK1 P06870 1/20 0.44
MAP2 P11137 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6786248 0.95 F10 (0.44) F10KLK1MAP2ALDH1A1L3MBTL1
SCHEMBL6729605 0.90 F10 (0.44) F10KLK1MAP2MEN1KMT2A
SCHEMBL6733829 0.90 F10 (0.49) F10KLK1MAP2MEN1KMT2A
SCHEMBL6733956 0.89 F10 (0.47) F10KLK1MAP2MEN1KMT2A
SCHEMBL6781215 0.88 F10 (0.37) F10KLK1KMT2AALDH1A1POLB
SCHEMBL6730822 0.88 LSS (0.48) F10KLK1MAP2MEN1KMT2A
SCHEMBL6729442 0.85 F10 (0.47) F10KLK1MAP2MEN1KMT2A
SCHEMBL6735051 0.84 F10 (0.46) F10KLK1MAP2MEN1KMT2A
SCHEMBL6726146 0.82 F10 (0.46) F10KLK1MAP2MEN1KMT2A
SCHEMBL1302499 0.79 F10 (0.68) F10KLK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3139/4885MAP2 3780/4885

“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.