SCHEMBL5137640

SCHEMBL5137640

CC(C)C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
ALDH1A1 P00352 6/20 0.69
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
HCAR3 P49019 3/20 0.54
TDP1 Q9NUW8 4/20 0.54
MAPK1 P28482 3/20 0.54
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49

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
SCHEMBL11197355 1.00 MAPT (0.69) MAPTALDH1A1CRHBPCRHR2HCAR3
SCHEMBL31429843 1.00 MAPT (0.69) MAPTALDH1A1CRHBPCRHR2HCAR3
SCHEMBL5137639 1.00 MAPT (0.69) MAPTALDH1A1CRHBPCRHR2HCAR3
SCHEMBL27970874 0.88 CRHBP (0.57) MAPTALDH1A1CRHBPCRHR2HCAR3
SCHEMBL26934245 0.87 ALDH1A1 (0.55) MAPTALDH1A1CRHBPCRHR2HCAR3
SCHEMBL26934246 0.87 ALDH1A1 (0.55) MAPTALDH1A1CRHBPCRHR2HCAR3
SCHEMBL11236642 0.87 KMT2A (0.58) MAPTALDH1A1CRHBPCRHR2HCAR3
SCHEMBL11236645 0.87 KMT2A (0.58) MAPTALDH1A1CRHBPCRHR2HCAR3
SCHEMBL6132129 0.86 ALDH1A1 (0.69) MAPTALDH1A1CRHBPCRHR2HCAR3
SCHEMBL10505373 0.86 ALDH1A1 (0.69) MAPTALDH1A1CRHBPCRHR2HCAR3

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
EP-1940805-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-07-09 EP disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 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 (1 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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 MAPT 3195/4885ALDH1A1 728/4885CRHBP 810/4885

“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.