Sugi Predict

Sugi Predict / Compounds / SCHEMBL12424092

SCHEMBL12424092

SCHEMBL12424092

CNC(Cc1ccc2ccccc2n1)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.52
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYSLTR1 Q9Y271 2/20 0.41
▸ NCF1 P14598 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ CYSLTR2 Q9NS75 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 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
SCHEMBL10272261 1.00 CYP1A2 (0.52) CYP1A2HDAC1HDAC2MAPTSIRT2
SCHEMBL10285052 0.86 CYP1A2 (0.57) CYP1A2HDAC1HDAC2MAPTSIRT2
SCHEMBL14363067 0.86 CYP1A2 (0.57) CYP1A2HDAC1HDAC2MAPTSIRT2
SCHEMBL13840606 0.86 CYP1A2 (0.54) CYP1A2HDAC1HDAC2MAPTSIRT2
SCHEMBL19072314 0.81 CYP1A2 (0.58) CYP1A2HDAC1HDAC2MAPTALDH1A1
SCHEMBL2301880 0.80 CYP1A2 (0.50) CYP1A2SIRT2ALDH1A1CYSLTR1GPBAR1
SCHEMBL10079017 0.79 CYP1A2 (0.55) CYP1A2HDAC1HDAC2MAPTALDH1A1
SCHEMBL19385959 0.77 CYP1A2 (0.56) CYP1A2ALDH1A1KDM4E
SCHEMBL19385958 0.77 CYP1A2 (0.56) CYP1A2ALDH1A1KDM4E
SCHEMBL12384382 0.76 CYP1A2 (0.56) CYP1A2HDAC1HDAC2MAPTSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 — — US disclosed
US-8378099-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACUETICALS, INC. (US) 2013-02-19 — — US disclosed
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-12-15 — — US disclosed
US-8003791-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-23 — — US disclosed
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-10-01 — — 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 (3 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-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B CYP1A2 4600/4885HDAC1 3821/4885HDAC2 3313/4885
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B CYP1A2 4600/4885HDAC1 3821/4885HDAC2 3313/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B CYP1A2 4600/4885HDAC1 3821/4885HDAC2 3313/4885

“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.