SCHEMBL7126620

SCHEMBL7126620

COC(=O)c1ccc(Nc2ccc(Cc3ccccc3)cc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.57
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPT P10636 6/20 0.50
PYGL P06737 6/20 0.49
HTT P42858 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PYGM P11217 1/20 0.47
SETD7 Q8WTS6 1/20 0.46

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
SCHEMBL7118343 0.81 ABCG2 (0.54) THRALMNAABCG2MEN1KMT2A
SCHEMBL7122268 0.76 KMT2A (0.56) ABCG2MEN1KMT2AMAPTPYGL
SCHEMBL6430916 0.76 PYGL (0.82) LMNAMEN1KMT2AMAPTPYGL
SCHEMBL4950322 0.75 AKR1C4 (0.69) THRALMNAHPGDATMABCG2
SCHEMBL29472407 0.75 AKR1C4 (0.69) THRALMNAHPGDATMABCG2
SCHEMBL4094329 0.75 KMT2A (0.66) ABCG2MEN1KMT2AMAPTALDH1A1
SCHEMBL6436606 0.75 MAPT (0.70) THRALMNAMEN1KMT2AMAPT
SCHEMBL6431792 0.74 PYGL (0.78) MEN1KMT2AMAPTPYGLPYGM
SCHEMBL6933335 0.74 MEN1 (0.50) LMNAHPGDABCG2MEN1KMT2A
SCHEMBL6431218 0.74 PYGL (0.79) LMNAMEN1KMT2AMAPTPYGL

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-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics KRISTIANSEN MARIT (DK) 2003-10-02 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-20030186944-A1 Such as 4-(2-(3-dimethylaminobenzoylamino)phenoxy)phthalic acid for treatment/prevention of diabetes; for inhibiting liver glycogen phosphorylase; dietetics PYGL, GYS2, PYGM THRA 1558/4885LMNA 1952/4885HPGD 919/4885

“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.