SCHEMBL2833396

SCHEMBL2833396

COc1ncc(C(=O)NN)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.40
CTSD P07339 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
VCAM1 P19320 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HCAR3 P49019 1/20 0.40
TPMT P51580 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL72187 0.84 MAPT (0.56) JAK2MAPTALDH1A1MAPK1POLB
SCHEMBL14060781 0.82 TPMT (0.54) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL25387975 0.77 GAA (0.39) JAK2MAPTALDH1A1MAPK1TDP1
SCHEMBL31185523 0.77 GAA (0.39) JAK2MAPTALDH1A1MAPK1TDP1
SCHEMBL27733627 0.74 MEN1 (0.56) MAPTALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL14060091 0.74 ALDH1A1 (0.43) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL5309167 0.73 MAPT (0.51) MAPTALDH1A1MAPK1POLBKMT2A
SCHEMBL15889718 0.73 MAPT (0.40) JAK2MAPTALDH1A1MAPK1HTT
SCHEMBL16545190 0.73 MAPT (0.51) MAPTALDH1A1MAPK1POLBKMT2A
SCHEMBL9178607 0.72 ALDH1A1 (0.46) MAPTALDH1A1MAPK1TDP1HTT

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 5 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
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 JAK2 135/4885MAPT 4427/4885ALDH1A1 774/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 JAK2 136/4885MAPT 4446/4885ALDH1A1 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.