SCHEMBL7064628

SCHEMBL7064628

CCCCCNC(=O)C(N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.55
MGLL Q99685 2/20 0.54
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
DPP7 Q9UHL4 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX12 P18054 1/20 0.50

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
Hydrochloric Acid SCHEMBL6802090 0.99 MMP2 (0.54) MMP2MGLLALDH1A1MAPTDPP7
SCHEMBL12793689 0.87 MMP2 (0.57) MMP2ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6798151 0.86 MMP2 (0.51) MMP2ALDH1A1
SCHEMBL5000615 0.84 MMP2 (0.59) MMP2DPP7LMNA
SCHEMBL6100385 0.84 MMP2 (0.59) MMP2DPP7LMNA
SCHEMBL5967323 0.82 MMP2 (0.55) MMP2ALDH1A1MAPTLMNAHTT
SCHEMBL5967317 0.82 MMP2 (0.55) MMP2ALDH1A1MAPTLMNAHTT
SCHEMBL17941640 0.82 GRIA1 (0.57) DPP7
SCHEMBL8914296 0.82 DPP7 (0.55) DPP7
SCHEMBL17941639 0.82 GRIA1 (0.57) DPP7

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
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 MMP2 3038/4885MGLL 4183/4885ALDH1A1 299/4885

“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.