SCHEMBL6806963

SCHEMBL6806963

COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 6/20 0.59
ITGB7 P26010 6/20 0.59
ATM Q13315 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 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
SCHEMBL6801977 1.00 ITGA4 (0.59) ITGA4ITGB7ATMMEN1KMT2A
SCHEMBL6823818 0.89 GAA (0.58) ITGA4ITGB7MEN1KMT2AL3MBTL1
SCHEMBL2375644 0.87 ATM (0.68) ITGA4ITGB7ATMMEN1KMT2A
SCHEMBL2375646 0.87 ATM (0.68) ITGA4ITGB7ATMMEN1KMT2A
SCHEMBL3959739 0.87 ATM (0.68) ITGA4ITGB7ATMMEN1KMT2A
SCHEMBL4365218 0.86 ATM (0.49) ITGA4ITGB7ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL17822192 0.85 ATM (0.67) ITGA4ITGB7ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL1885087 0.85 ATM (0.67) ITGA4ITGB7ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL1885086 0.85 ATM (0.67) ITGA4ITGB7ATMMEN1KMT2A
SCHEMBL6797746 0.85 MMP1 (0.54) ITGA4ITGB7MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed
US-20040167183-A1 Phenethylamino sulfamic acids THE PROCTER & GAMBLE COMPANY 2004-08-26 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-20040167183-A1 Phenethylamino sulfamic acids PTPRM, PTPRS, PTPRE ITGA4 4015/4885ITGB7 4071/4885ATM 2855/4885

“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.