SCHEMBL3515546

SCHEMBL3515546

COC(=O)c1cc(Oc2ccc([N+](=O)[O-])c(OC)c2)ccc1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP2C9 P11712 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.48
FFAR4 Q5NUL3 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 2/20 0.46
PKM P14618 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNA5 P22460 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.45

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
SCHEMBL3511540 0.92 CYP2C9 (0.60) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL3512151 0.91 CYP2C9 (0.52) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL3512989 0.90 CYP2C9 (0.58) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL3515457 0.89 CYP2C9 (0.51) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL3514689 0.89 CYP2C9 (0.64) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL3512197 0.88 CYP2C9 (0.50) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL3515375 0.88 CYP2C9 (0.56) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL3513265 0.88 CYP2C9 (0.56) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL3512740 0.88 MAPT (0.52) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL3514314 0.88 CYP2C9 (0.49) LMNAMAPTTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
EP-2005177-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM Tibotec Pharmaceuticals Ltd. (IE) 2008-12-24 EP disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 WO disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 WO 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-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM C1QBP, CD4, CHRM4 LMNA 2367/4885MAPT 177/4885TDP1 2859/4885

“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.