SCHEMBL1818952

SCHEMBL1818952

COC(CNC(=O)Cc1cccc([N+](=O)[O-])c1)OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
ATM Q13315 1/20 0.52
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL17911807 0.86 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNAATMHTT
SCHEMBL6957487 0.82 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1LMNAHTTL3MBTL1
SCHEMBL9210392 0.82 RAB9A (0.55) SMN1; SMN2ALDH1A1LMNAHTTL3MBTL1
SCHEMBL17678184 0.81 ATM (0.77) SMN1; SMN2ALDH1A1LMNAATML3MBTL1
SCHEMBL228947 0.80 CA1 (0.54) SMN1; SMN2ALDH1A1HTTPOLBMAPT
SCHEMBL30468424 0.80 CA1 (0.54) SMN1; SMN2ALDH1A1HTTPOLBMAPT
SCHEMBL11627384 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1LMNAHTTL3MBTL1
SCHEMBL20515053 0.80 RAB9A (0.53) SMN1; SMN2ALDH1A1LMNAHTTL3MBTL1
SCHEMBL9258004 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAHTTL3MBTL1
SCHEMBL29778821 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAHTTL3MBTL1

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-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD SMN1; SMN2 4069/4885ALDH1A1 4190/4885LMNA 3490/4885

“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.