SCHEMBL1780419

SCHEMBL1780419

CCOc1cc(OCCN(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.56
CHRNA4 P43681 2/20 0.56
ALDH1A1 P00352 7/20 0.52
MAPT P10636 5/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
KDM4E B2RXH2 7/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KCNH2 Q12809 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
SCHEMBL1961769 0.88 CHRNB2 (0.57) CHRNB2CHRNA4ALDH1A1MAPTLMNA
SCHEMBL1965344 0.85 RAB9A (0.53) CHRNB2CHRNA4ALDH1A1MAPTLMNA
SCHEMBL1963656 0.84 CHRNB2 (0.53) CHRNB2CHRNA4ALDH1A1MAPTLMNA
SCHEMBL1962192 0.83 CHRNB2 (0.59) CHRNB2CHRNA4ALDH1A1MAPTLMNA
SCHEMBL30578533 0.82 MAPT (0.61) CHRNB2CHRNA4ALDH1A1MAPTKMT2A
SCHEMBL8915357 0.82 MAPT (0.61) CHRNB2CHRNA4ALDH1A1MAPTKMT2A
SCHEMBL14785348 0.81 MCHR1 (0.53) CHRNB2CHRNA4ALDH1A1MAPTKMT2A
SCHEMBL1962847 0.81 KMT2A (0.49) CHRNB2CHRNA4ALDH1A1MAPTLMNA
SCHEMBL7569094 0.81 MAPT (0.58) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL1962346 0.81 CHRNB2 (0.58) CHRNB2CHRNA4ALDH1A1MAPTLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 CHRNB2 3727/4885CHRNA4 4753/4885ALDH1A1 2972/4885

“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.