SCHEMBL9980819

SCHEMBL9980819

CCCCN(CC)c1cc(C)nc(N(CC(=O)OCC)c2ccc(Br)cc2C)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.40
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
ATM Q13315 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
CASP6 P55212 1/20 0.33

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
SCHEMBL3808926 0.92 CRHR1 (0.39) CRHR1ALDH1A1MAPT
SCHEMBL3803535 0.88 CRHR1 (0.43) CRHR1ALDH1A1MAPT
SCHEMBL12027414 0.84 MEN1 (0.42) CRHR1ALDH1A1MAPTMEN1LMNA
SCHEMBL9980824 0.81 ATM (0.32) ALDH1A1MAPTATMPOLBMEN1
SCHEMBL3808934 0.73 SMN1; SMN2 (0.33) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL3803542 0.70 CRHR1 (0.33) CRHR1ALDH1A1MAPTLMNAKMT2A
SCHEMBL12046690 0.69 PPARG (0.37) CRHR1MAPTMEN1LMNAKMT2A
SCHEMBL5844440 0.68 CRHR1 (0.43) CRHR1MAPT
SCHEMBL12027415 0.64 MAPT (0.43) CRHR1ALDH1A1MAPTPOLBMEN1
SCHEMBL9694131 0.62 LMNA (0.47) ALDH1A1MAPTPOLBLMNAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2014-06-26 US disclosed
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT UNIV EMORY (US) 2013-10-31 US disclosed
US-8551996-B2 Compounds, compositions, methods of synthesis, and methods of treatment EMORY UNIVERSITY (US) 2013-10-08 US disclosed
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2011-12-15 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 (3 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-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 CRHR1 2/4885ALDH1A1 2345/4885MAPT 2625/4885
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 CRHR1 2/4885ALDH1A1 2772/4885MAPT 2261/4885
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 CRHR1 2/4885ALDH1A1 2345/4885MAPT 2625/4885

“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.