SCHEMBL6403580

SCHEMBL6403580

COC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccc3ccccc3c2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 2/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
PYGL P06737 1/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49

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
SCHEMBL6401893 0.84 KDM4E (0.57) ALDH1A1KDM4EALOX12SMN1; SMN2CYP1A2
SCHEMBL8037902 0.83 PDE5A (0.62) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6410492 0.82 TSHR (0.62) ALDH1A1KDM4EALOX12SMN1; SMN2CYP1A2
SCHEMBL21446855 0.81 KDM4E (0.77) ALDH1A1KDM4EALOX12SMN1; SMN2CYP1A2
SCHEMBL28560359 0.79 TSHR (0.62) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C19
SCHEMBL13044872 0.76 TDP1 (0.51) ALDH1A1NPSR1SMN1; SMN2TDP1HPGD
SCHEMBL6339040 0.76 ELANE (0.62) ALDH1A1KDM4EALOX12SMN1; SMN2CYP1A2
SCHEMBL31371767 0.75 TDP1 (0.52) ALDH1A1NPSR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL4580873 0.74 ALDH1A1 (0.60) ALDH1A1NPSR1SMN1; SMN2GAATSHR
SCHEMBL6709802 0.74 TSHR (0.67) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050027008-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredient TEIJIN LIMITED 2005-02-03 US disclosed
US-20030220402-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredients TEIJIN LIMITED (JP) 2003-11-27 US disclosed
EP-1256341-A1 CANCER REMEDY COMPRISING ANTHRANILIC ACID DERIVATIVE AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 2002-11-13 EP 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 (2 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-20030220402-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredients HCCS, BCOR, CBR1 ALDH1A1 1126/4885KDM4E 1406/4885ALOX12 339/4885
US-20050027008-A1 Cancer remedy comprising anthranilic acid derivatives as active ingredient CA9, HCCS, CA7 ALDH1A1 1389/4885KDM4E 1879/4885ALOX12 297/4885

“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.