SCHEMBL3334862

SCHEMBL3334862

O=[N+]([O-])c1ccc(Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
PDE7A Q13946 1/20 0.47
CYP3A4 P08684 3/20 0.45
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
SNCA P37840 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 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
SCHEMBL6349993 0.91 TSHR (0.53) TSHRMAPK1CA1CA2MMP1
SCHEMBL550266 0.86 TSHR (0.60) TSHRMAPK1CA1CA2MMP1
SCHEMBL10270605 0.85 TSHR (0.58) TSHRMAPK1CA1CA2MMP1
SCHEMBL6211032 0.85 TSHR (0.58) TSHRMAPK1CA1CA2MMP1
SCHEMBL10660218 0.85 TSHR (0.58) TSHRMAPK1CA1CA2MMP1
SCHEMBL31667740 0.85 TSHR (0.58) TSHRMAPK1CA1CA2MMP1
SCHEMBL5068488 0.85 TSHR (0.58) TSHRMAPK1CA1CA2MMP1
SCHEMBL1868568 0.85 TSHR (0.58) TSHRMAPK1CA1CA2MMP1
SCHEMBL28876320 0.83 TSHR (0.56) TSHRMAPK1CA1CA2MMP1
SCHEMBL10660203 0.83 TSHR (0.56) TSHRMAPK1CA1CA2MMP1

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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation BIOLIPOX AB 2010-06-10 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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R TSHR 1657/4885MAPK1 2197/4885CA1 3130/4885

“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.