SCHEMBL4767565

SCHEMBL4767565

CN(C)C(=O)Nc1ccccc1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
GAA P10253 6/20 0.57
KDM4E B2RXH2 5/20 0.57
TSHR P16473 1/20 0.55
ALDH1A1 P00352 4/20 0.54
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.51
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 1/20 0.50
CYP1A2 P05177 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NLRP3 Q96P20 1/20 0.50
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL7089269 0.81 ALDH1A1 (0.56) KDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL30761772 0.81 ALDH1A1 (0.56) KDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL1084996 0.80 L3MBTL1 (0.63) L3MBTL1GAAKDM4ETSHRALDH1A1
SCHEMBL29769835 0.80 L3MBTL1 (0.63) L3MBTL1GAAKDM4ETSHRALDH1A1
SCHEMBL6858019 0.80 GAA (0.66) L3MBTL1GAAKDM4ETSHRALDH1A1
SCHEMBL30107521 0.78 GAA (0.64) L3MBTL1GAAKDM4ETSHRALDH1A1
SCHEMBL6222692 0.78 GAA (0.64) L3MBTL1GAAKDM4ETSHRALDH1A1
SCHEMBL4766358 0.78 GAA (0.69) L3MBTL1GAAKDM4ETSHRALDH1A1
SCHEMBL1019310 0.78 ALDH1A1 (0.50) GAAKDM4ETSHRALDH1A1KMT2A
SCHEMBL514620 0.77 GAA (0.67) L3MBTL1GAAKDM4ETSHRALDH1A1

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
EP-1722796-A4 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-01-23 EP disclosed
WO-2007117289-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-18 WO disclosed
EP-1722796-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF Inotek Pharmaceuticals Corporation (US) 2006-11-22 EP disclosed
US-20050261288-A1 Tetracyclic lactam derivatives and uses thereof INOTEK PHARMACEUTICALS CORPORATION 2005-11-24 US disclosed
WO-2005082079-A2 TETRACYCLIC LACTAM DERIVATIVES AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-09-09 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-20050261288-A1 Tetracyclic lactam derivatives and uses thereof PARK7, GLS, IAPP L3MBTL1 2626/4885GAA 116/4885KDM4E 4475/4885

“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.