SCHEMBL15611331

SCHEMBL15611331

CCOC(=O)Cn1cccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MITF O75030 2/20 0.52
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PPARG P37231 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIN1 Q13526 1/20 0.40
PIN4 Q9Y237 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL7284088 0.82 RAD52 (0.50) MITFALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL16367425 0.78 KMT2A (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2237187 0.76 ALDH1A1 (0.50) MITFALDH1A1MAPTLMNAKMT2A
SCHEMBL15607840 0.75 LMNA (0.40) ALDH1A1SMN1; SMN2RAB9ALMNAMEN1
SCHEMBL2831481 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL29612787 0.73 ALDH1A1 (0.54) MITFALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL3725949 0.73 ALDH1A1 (0.54) MITFALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL5180011 0.73 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EGSK3A
SCHEMBL28850677 0.73 ALDH1A1 (0.53) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5310606 0.72 MITF (0.65) MITFALDH1A1SMN1; SMN2RAB9AMAPT

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
WO-2014007650-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-09 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB MITF 3683/4885ALDH1A1 140/4885SMN1; SMN2 4329/4885

“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.