SCHEMBL4598772

SCHEMBL4598772

CCN(C)C(=O)Nc1cccc(C#N)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 1/20 0.53
IDO1 P14902 1/20 0.51
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KCNJ6 P48051 1/20 0.50
KCNJ5 P48544 1/20 0.50
KCNJ3 P48549 1/20 0.50
NPC1 O15118 1/20 0.49

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
SCHEMBL4610082 0.85 ALDH1A1 (0.60) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL14035806 0.82 MAPT (0.57) MCHR1MAPTKMT2AALDH1A1MEN1
SCHEMBL4599743 0.80 KMT2A (0.55) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL3868137 0.79 CA12 (0.51) MCHR1MAPTKMT2AALDH1A1MEN1
SCHEMBL13631370 0.79 CA12 (0.51) MCHR1MAPTKMT2AALDH1A1MEN1
SCHEMBL934088 0.79 LMNA (0.67) MCHR1MAPTKMT2AALDH1A1MEN1
SCHEMBL12329974 0.78 KMT2A (0.56) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL3863333 0.78 MAOA (0.42) MCHR1MAPTKMT2AALDH1A1MEN1
SCHEMBL13631551 0.78 PDK1 (0.42) MCHR1MAPTKMT2AALDH1A1MEN1
SCHEMBL23169534 0.78 KMT2A (0.58) MAPTKMT2AMEN1LMNAL3MBTL1

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
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 MCHR1 3968/4885MAPT 1601/4885KMT2A 2453/4885

“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.