SCHEMBL2838831

SCHEMBL2838831

Cc1cc(C(F)(F)F)cnc1NCCCC(=O)NN

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
GAA P10253 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
AGBL2 Q5U5Z8 1/20 0.43
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2835389 0.84 L3MBTL1 (0.52) ALDH1A1GAARAB9ASMN1; SMN2KDM4E
SCHEMBL18376268 0.77 IL1B (0.49) ALDH1A1GAARAB9ASMN1; SMN2KDM4E
SCHEMBL15945544 0.73 POLB (0.46) ALDH1A1GAARAB9ASMN1; SMN2MAPT
SCHEMBL2400589 0.72 ALDH1A1 (0.62) ALDH1A1GAARAB9ASMN1; SMN2MAPT
SCHEMBL4368849 0.71 AGBL2 (0.44) ALDH1A1GAASMN1; SMN2KDM4EPOLB
SCHEMBL10281003 0.67 POLB (0.46) ALDH1A1GAARAB9ASMN1; SMN2MAPT
SCHEMBL24214066 0.67 HCAR3 (0.40) ALDH1A1L3MBTL1AGBL2
SCHEMBL6985291 0.66 AGBL2 (0.45) ALDH1A1GAASMN1; SMN2KDM4EPOLB
SCHEMBL15922616 0.66 SMN1; SMN2 (0.53) ALDH1A1GAARAB9ASMN1; SMN2MAPT
SCHEMBL12315723 0.65 POLB (0.64) ALDH1A1GAARAB9ASMN1; SMN2MAPT

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 ALDH1A1 774/4885GAA 2360/4885RAB9A 3219/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 ALDH1A1 798/4885GAA 2377/4885RAB9A 3161/4885

“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.