SCHEMBL6629953

SCHEMBL6629953

CCOC(=O)C(C#N)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALOX5 P09917 3/20 0.52
NR1H4 Q96RI1 1/20 0.52
ALDH1A1 P00352 1/20 0.52
FFAR1 O14842 3/20 0.51
MAOB P27338 2/20 0.49
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 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
SCHEMBL30771219 0.88 LTA4H (0.54) LMNAL3MBTL1SMN1; SMN2ALOX5ALDH1A1
SCHEMBL502194 0.83 SMN1; SMN2 (0.61) LMNAL3MBTL1MEN1GAAKMT2A
SCHEMBL6803017 0.83 ALOX5 (0.59) LMNAGAAALOX5FFAR1MAOB
SCHEMBL2716599 0.82 LMNA (0.68) LMNAL3MBTL1ALOX5NR1H4ALDH1A1
SCHEMBL27920341 0.82 SMN1; SMN2 (0.60) LMNAL3MBTL1MEN1GAAKMT2A
SCHEMBL17466005 0.82 MEN1 (0.58) LMNAL3MBTL1MEN1GAAKMT2A
SCHEMBL7401422 0.81 LMNA (0.71) LMNAL3MBTL1ALOX5NR1H4ALDH1A1
SCHEMBL3591959 0.81 NPC1 (0.53) SMN1; SMN2ALOX5ALDH1A1FFAR1MAOB
SCHEMBL5299951 0.81 SMN1; SMN2 (0.56) L3MBTL1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL27973452 0.80 LMNA (0.65) LMNAL3MBTL1ALOX5NR1H4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 EP disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-20030134827-A1 Novel lactam metalloprotease inhibitors DUAN JINGWU (US) 2003-07-17 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 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-20030134827-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 LMNA 3025/4885L3MBTL1 3833/4885MEN1 724/4885

“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.