SCHEMBL4599285

SCHEMBL4599285

CNC(=O)Nc1cccc(CN)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.51
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
DDX3X O00571 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
AURKB Q96GD4 1/20 0.46
HTR6 P50406 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
MAPK14 Q16539 1/20 0.44
HPSE Q9Y251 1/20 0.44

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
SCHEMBL4368826 0.87 GHSR (0.48) SAE1UBA2DDX3XMAPTMEN1
SCHEMBL7477649 0.85 SAE1 (0.50) SAE1UBA2DDX3XMAPTMEN1
SCHEMBL14405803 0.85 MAPT (0.62) SAE1UBA2MAPTMEN1KMT2A
SCHEMBL17976484 0.85 CFD (0.60) CFDSAE1UBA2DDX3XMAPT
SCHEMBL19445374 0.85 PDK1 (0.56) SAE1UBA2DDX3XMAPTMEN1
SCHEMBL14852990 0.84 GHSR (0.51) SAE1UBA2DDX3XMAPTMEN1
SCHEMBL17976250 0.84 MAPT (0.50) CFDLOXL2MAPTMEN1KMT2A
SCHEMBL11508504 0.84 NOS3 (0.52) SAE1UBA2DDX3XMAPTMEN1
SCHEMBL2545099 0.83 ALDH1A1 (0.61) CFDLOXL2MAPTMEN1KMT2A
SCHEMBL8919908 0.82 ALDH1A1 (0.58) SAE1UBA2LOXL2KMT2ARAB9A

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
CN-1227555-A Cytokine production inhibitors triazepine compounds, and intermediates thereof JAPAN TOBACCO INC (JP) 1999-09-01 CN claimed
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
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
CN-1227555-A Cytokine production inhibitors triazepine compounds, and intermediates thereof JAPAN TOBACCO INC (JP) 1999-09-01 CN 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 CFD 342/4885SAE1 3585/4885UBA2 2385/4885

“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.