SCHEMBL4598715

SCHEMBL4598715

CC(C)Sc1cccnc1N(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.37
HSD17B10 Q99714 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
FFAR4 Q5NUL3 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 2/20 0.34
NAPRT Q6XQN6 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 3/20 0.33
PKM P14618 1/20 0.32
GMNN O75496 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
PMP22 Q01453 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3078744 0.76 NAPRT (0.38) SMN1; SMN2ALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL79642 0.74 MEN1 (0.36) HPGDSMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL2179960 0.72 NAPRT (0.55) SMN1; SMN2ALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL4631216 0.72 ALDH1A1 (0.36) HPGDALDH1A1KMT2ANAPRTMEN1
SCHEMBL21121863 0.71 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL4117490 0.69 KDM4E (0.39) SMN1; SMN2ALDH1A1KDM4EL3MBTL1NAPRT
SCHEMBL15413774 0.68 L3MBTL1 (0.42) HPGDHSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8539682 0.68 FFAR4 (0.42) HSD17B10SMN1; SMN2ALDH1A1KDM4EFFAR4
SCHEMBL4598712 0.68 ADORA2A (0.37) HPGDHSD17B10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10297562 0.68 L3MBTL1 (0.34) HPGDALDH1A1KDM4ENPSR1L3MBTL1

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 4 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
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
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 HPGD 2009/4885HSD17B10 4277/4885SMN1; SMN2 4597/4885

“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.