SCHEMBL2830307

SCHEMBL2830307

NNC(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
MAPT P10636 4/20 0.61
LMNA P02545 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HPGD P15428 5/20 0.59
GAA P10253 2/20 0.59
CA2 P00918 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
THRA P10827 1/20 0.56
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
ALOX5 P09917 1/20 0.54

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
SCHEMBL2833363 0.88 ALDH1A1 (0.76) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1083633 0.87 MEN1 (0.77) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL432613 0.86 KMT2A (0.69) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL30163119 0.86 KMT2A (0.69) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL23566425 0.86 GAA (0.66) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2838830 0.85 MEN1 (0.61) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL13623008 0.82 ALDH1A1 (0.63) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4156900 0.81 ALDH1A1 (0.67) ALDH1A1MAPTLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL1025685 0.81 ALDH1A1 (0.61) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL31546677 0.80 ALDH1A1 (0.63) ALDH1A1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US claimed
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US claimed
EP-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP claimed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 WO claimed
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US disclosed
US-7696231-B2 Oxindole hydrazide modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2010-04-13 US disclosed
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US disclosed
EP-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP disclosed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 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 (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-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) PTPRO, PTPRE, PTPRZ1 ALDH1A1 774/4885MAPT 4427/4885LMNA 4869/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 ALDH1A1 798/4885MAPT 4446/4885LMNA 4869/4885

“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.