SCHEMBL6491122

SCHEMBL6491122

COC(=O)c1cc(S(=O)(=O)c2cccc(Br)c2)c([N+](=O)[O-])s1.COC(=O)c1cc(Sc2cccc(Br)c2)c([N+](=O)[O-])s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 2/20 0.41
FBP1 P09467 1/20 0.34
MC4R P32245 1/20 0.33
VCAM1 P19320 2/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CLK1 P49759 2/20 0.32
LOX P28300 1/20 0.32
USP7 Q93009 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TBXA2R P21731 1/20 0.31
PFKFB3 Q16875 1/20 0.31
PFKFB4 Q16877 1/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31

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
SCHEMBL5839561 0.89 C1S (0.46) C1SVCAM1POLBKDM4ELOX
SCHEMBL5841470 0.89 ICAM1 (0.39) VCAM1ICAM1SELEPOLBCLK1
SCHEMBL5840563 0.79 EDNRA (0.43) FBP1VCAM1ICAM1SELEPOLB
SCHEMBL5841695 0.76 C1S (0.47) C1SPOLBMEN1MAPTKMT2A
SCHEMBL5839296 0.75 ALDH1A1 (0.43) VCAM1ICAM1SELEKDM4EUSP7
SCHEMBL5840146 0.75 XDH (0.43) C1SKDM4EMEN1KMT2AALDH1A1
SCHEMBL5840567 0.75 XDH (0.41) FBP1VCAM1ICAM1SELEKDM4E
SCHEMBL5841225 0.74 ICAM1 (0.43) VCAM1ICAM1SELEPOLBKDM4E
SCHEMBL5840482 0.74 MAPT (0.37) VCAM1POLBKDM4EMEN1MAPT
SCHEMBL5841056 0.73 C1S (0.71) C1S

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 5/4885FBP1 2547/4885MC4R 459/4885

“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.