SCHEMBL9980824

SCHEMBL9980824

CCCCC(C)Nc1cc(C)nc(N(CC(=O)OCC)c2ccc(Br)cc2C)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL3808934 0.92 SMN1; SMN2 (0.33) MEN1LMNAKMT2AMAPTALDH1A1
SCHEMBL3803542 0.89 CRHR1 (0.33) LMNAKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL9980819 0.81 CRHR1 (0.40) ATMMEN1LMNAKMT2AMAPT
SCHEMBL3808926 0.73 CRHR1 (0.39) MAPTALDH1A1
SCHEMBL3803535 0.70 CRHR1 (0.43) MAPTALDH1A1
SCHEMBL12027414 0.66 MEN1 (0.42) MEN1LMNAKMT2AMAPTALDH1A1
SCHEMBL9694131 0.63 LMNA (0.47) LMNAKMT2AMAPTALDH1A1POLB
SCHEMBL8840628 0.60 SMN1; SMN2 (0.50) MEN1LMNAKMT2AMAPTALDH1A1
SCHEMBL5843263 0.59 MAPT (0.43) MAPTALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL19554980 0.59 KDM4E (0.42) MEN1LMNAKMT2AMAPTALDH1A1

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 ATM 3515/4885MEN1 321/4885LMNA 3311/4885
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 ATM 3078/4885MEN1 141/4885LMNA 4152/4885
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 ATM 3515/4885MEN1 321/4885LMNA 3311/4885

“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.