SCHEMBL4512978

SCHEMBL4512978

COc1ccc(CN(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 13/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.52
HTR7 P34969 1/20 0.51
GFER P55789 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1961924 0.88 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL5913543 0.85 LMNA (0.56) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL3720206 0.85 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL14798532 0.84 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL97957 0.84 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL5913325 0.84 PDK1 (0.51) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL16233087 0.83 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL31090163 0.83 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL3720077 0.83 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1HTTLMNAGAA
SCHEMBL5913083 0.82 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1HTTLMNAGAA

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-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 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 (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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R SMN1; SMN2 4110/4885ALDH1A1 2632/4885HTT 1770/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 SMN1; SMN2 4036/4885ALDH1A1 2449/4885HTT 3230/4885

“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.