SCHEMBL2838830

SCHEMBL2838830

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

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 7/20 0.60
LMNA P02545 5/20 0.60
MAPT P10636 4/20 0.60
HPGD P15428 4/20 0.60
ATM Q13315 1/20 0.59
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
THRA P10827 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 0.86 ALDH1A1 (0.76) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2830307 0.85 ALDH1A1 (0.63) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL1083633 0.84 MEN1 (0.77) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL23566425 0.84 GAA (0.66) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7681992 0.83 SETD7 (0.66) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12813280 0.82 MMP13 (0.74) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL1572442 0.81 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL31103641 0.81 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL31546659 0.81 ALDH1A1 (0.58) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7230000 0.81 ALOX5 (0.56) MEN1KMT2AALDH1A1LMNAMAPT

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-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

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 MEN1 4402/4885KMT2A 3816/4885ALDH1A1 774/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 MEN1 4405/4885KMT2A 3784/4885ALDH1A1 798/4885

“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.