SCHEMBL515731

SCHEMBL515731

COc1cc(N2CCC(NC(=O)O)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
LMNA P02545 3/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL515730 1.00 MAPT (0.47) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL518051 0.88 LMNA (0.43) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL23654672 0.87 ALDH1A1 (0.45) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL517279 0.82 ALDH1A1 (0.64) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL517280 0.82 ALDH1A1 (0.64) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL517549 0.81 HTR4 (0.42) MAPTKMT2AALDH1A1
SCHEMBL517901 0.80 ALDH1A1 (0.45) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL31458455 0.80 ALDH1A1 (0.45) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL15103634 0.80 MAPT (0.60) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL15103633 0.80 MAPT (0.60) MAPTLMNAKMT2ASMN1; SMN2ALDH1A1

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
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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 (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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 MAPT 2815/4885LMNA 1889/4885KMT2A 747/4885

“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.