SCHEMBL2836138

SCHEMBL2836138

NNC(=O)CCc1ccc(C(=O)NN)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
HIF1A Q16665 2/20 0.53
MPO P05164 2/20 0.53
KDM5A P29375 1/20 0.53
BLM P54132 1/20 0.53
GFER P55789 1/20 0.53
PMP22 Q01453 1/20 0.53
ALDH1A1 P00352 7/20 0.52
MAPT P10636 5/20 0.52
KDM4E B2RXH2 4/20 0.52
OGG1 O15527 1/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL12687827 0.89 HDAC1 (0.61) CYP3A4HIF1AMPOKDM5ABLM
SCHEMBL6037022 0.82 HDAC2 (0.62) CYP3A4HIF1AMPOKDM5ABLM
SCHEMBL2832445 0.82 MAPT (0.61) CYP3A4HIF1AALDH1A1MAPTLMNA
SCHEMBL8492976 0.82 NPY5R (0.57) CYP3A4HIF1AALDH1A1MAPTKDM4E
SCHEMBL17967143 0.81 HDAC1 (0.57) CYP3A4HIF1AALDH1A1MAPTKDM4E
SCHEMBL27606163 0.81 LMNA (0.53) CYP3A4HIF1AALDH1A1KDM4ELMNA
SCHEMBL8532525 0.81 CYP1A2 (0.51) CYP3A4HIF1AALDH1A1MAPTKDM4E
SCHEMBL967387 0.80 HDAC2 (0.68) CYP3A4HIF1AALDH1A1MAPTKDM4E
SCHEMBL4409663 0.79 FFAR1 (0.56) CYP3A4HIF1AALDH1A1KDM4ELMNA
SCHEMBL4074049 0.79 MPO (0.47) CYP3A4HIF1AMPOKDM5ABLM

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 CYP3A4 1654/4885HIF1A 2443/4885MPO 2619/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 CYP3A4 1685/4885HIF1A 2411/4885MPO 2626/4885

“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.