SCHEMBL6276432

SCHEMBL6276432

N=C(N)c1cccc(N(S)C(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
F2 P00734 2/20 0.46
TMPRSS6 Q8IU80 1/20 0.46
NAMPT P43490 3/20 0.45
PLAU P00749 1/20 0.45
HPN P05981 1/20 0.45
PRMT1 Q99873 1/20 0.45
F10 P00742 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL6286589 0.82 F2 (0.53) CYP2D6CYP2C9TSHRCYP2C19F2
SCHEMBL6280117 0.82 MEN1 (0.60) CYP2D6CYP2C9TSHRCYP2C19F2
SCHEMBL7115524 0.79 PRMT1 (0.47) F2TMPRSS6PRMT1F10SMN1; SMN2
SCHEMBL6276427 0.79 GPR55 (0.56) CYP2D6CYP2C9TSHRCYP2C19F2
SCHEMBL4168948 0.75 KEAP1 (0.61) CYP2D6CYP2C9TSHRCYP2C19NAMPT
SCHEMBL8170686 0.75 KEAP1 (0.65) F2TMPRSS6PLAUHPNPRMT1
SCHEMBL6285904 0.74 NAMPT (0.56) F2TMPRSS6NAMPTF10SMN1; SMN2
SCHEMBL6276930 0.74 CA2 (0.53) TSHRSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL6280114 0.70 NAMPT (0.62) F2TMPRSS6NAMPTSMN1; SMN2KMT2A
SCHEMBL19639277 0.70 KEAP1 (0.61) CYP2D6CYP2C9TSHRCYP2C19NAMPT

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-6949567-B2 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2005-09-27 US disclosed
US-20030119876-A1 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2003-06-26 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-20030119876-A1 Compounds for the treatment of protozoal diseases CLIC1, PKD2, PKD1 CYP2D6 2377/4885CYP2C9 2775/4885TSHR 3529/4885

“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.