SCHEMBL6493857

SCHEMBL6493857

COC(=O)c1cc(S(=O)(=O)c2cc([N+](=O)[O-])cc(Br)c2Cl)c(SC)s1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C1S P09871 15/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
COMT P21964 1/20 0.33

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
SCHEMBL5841356 0.83 C1S (0.41) C1S
SCHEMBL5840415 0.77 C1S (0.48) C1S
SCHEMBL5840476 0.76 C1S (0.44) C1S
SCHEMBL5840591 0.73 C1S (0.46) C1SPOLBALDH1A1
SCHEMBL5840204 0.72 C1S (0.46) C1SALDH1A1HTT
SCHEMBL5842218 0.72 C1S (0.42) C1S
SCHEMBL5840864 0.71 C1S (0.48) C1S
SCHEMBL5839960 0.71 C1S (0.43) C1SLMNAMAPTKDM4EALDH1A1
SCHEMBL5841137 0.70 MEN1 (0.45) C1SPOLBLMNAMAPT
SCHEMBL6923952 0.69 KEAP1 (0.41) LMNAMAPTKDM4EALDH1A1

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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R C1S 5/4885POLB 4582/4885LMNA 4410/4885

“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.