SCHEMBL6735703

SCHEMBL6735703

O=C(c1ccc(-c2cc[n+]([O-])cc2)cc1)N1CCN(S(=O)(=O)N2Cc3ccc(Cl)cc3C2)CC1.O=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)N2Cc3ccc(Cl)cc3C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.47
SLC6A7 Q99884 3/20 0.42
SLC6A3 Q01959 1/20 0.41
F10 P00742 1/20 0.41
AKR1C3 P42330 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
AOC3 Q16853 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39

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
SCHEMBL6725145 0.94 F10 (0.44) SLC6A7SLC6A3F10L3MBTL1LMNA
SCHEMBL6730433 0.92 LSS (0.54) LSSSLC6A7SLC6A3F10AKR1C3
SCHEMBL6735702 0.92 F10 (0.41) LSSSLC6A7SLC6A3F10AKR1C3
SCHEMBL6734646 0.84 F10 (0.45) SLC6A7SLC6A3F10LMNAPOLB
SCHEMBL6725451 0.83 F10 (0.36) F10L3MBTL1LMNAPOLBFNTA
SCHEMBL6730095 0.81 SLC6A7 (0.47) LSSSLC6A7SLC6A3F10LMNA
SCHEMBL6730709 0.77 LSS (0.49) LSSSLC6A7SLC6A3AKR1C3ALDH1A1
SCHEMBL6725963 0.76 CA12 (0.42) SLC6A7SLC6A3F10LMNAPOLB
SCHEMBL6730410 0.75 AKR1C3 (0.46) AKR1C3ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL6786248 0.74 F10 (0.44) LSSF10ALDH1A1ATML3MBTL1

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 1 patent. 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

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 LSS 1745/4885SLC6A7 4827/4885SLC6A3 3041/4885

“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.