SCHEMBL3513261

SCHEMBL3513261

CCCCNc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C(=O)OC)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
LMNA P02545 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.46
KCNA5 P22460 1/20 0.45
POLB P06746 2/20 0.44
PKM P14618 2/20 0.44
FBP1 P09467 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MAPK1 P28482 1/20 0.42
HCAR3 P49019 1/20 0.42
HTT P42858 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL3513853 0.95 CYP2C9 (0.52) MAPTLMNATDP1SMN1; SMN2MEN1
SCHEMBL3511650 0.91 CYP2C9 (0.53) MAPTLMNATDP1SMN1; SMN2MEN1
SCHEMBL3514724 0.90 CYP2C9 (0.56) MAPTLMNATDP1SMN1; SMN2MEN1
SCHEMBL3514430 0.87 CYP2C9 (0.52) MAPTLMNATDP1SMN1; SMN2MEN1
SCHEMBL3511540 0.86 CYP2C9 (0.60) MAPTLMNATDP1SMN1; SMN2MEN1
SCHEMBL3514437 0.85 CYP2C9 (0.56) MAPTLMNATDP1SMN1; SMN2MEN1
SCHEMBL3514314 0.85 CYP2C9 (0.49) MAPTLMNATDP1SMN1; SMN2MEN1
SCHEMBL13073465 0.85 CYP2C9 (0.51) MAPTLMNATDP1SMN1; SMN2MEN1
SCHEMBL3512989 0.84 CYP2C9 (0.58) MAPTLMNATDP1SMN1; SMN2MEN1
SCHEMBL3513998 0.84 CYP2C9 (0.58) MAPTLMNATDP1SMN1; SMN2MEN1

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 MAPT 177/4885LMNA 2367/4885TDP1 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.