SCHEMBL4613289

SCHEMBL4613289

NCc1cc(C(N)=O)cc(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
LOXL2 Q9Y4K0 4/20 0.42
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.39
DHODH Q02127 2/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
PARP1 P09874 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL31469843 0.95 PLAU (0.42) PLAULOXL2CYP3A4SMN1; SMN2TSHR
SCHEMBL3503704 0.87 TSHR (0.39) PLAULOXL2CYP3A4SMN1; SMN2TSHR
SCHEMBL29401039 0.85 PARP1 (0.47) PLAULOXL2CYP3A4SMN1; SMN2TSHR
SCHEMBL22501583 0.85 PARP1 (0.47) PLAULOXL2CYP3A4SMN1; SMN2TSHR
SCHEMBL8579498 0.82 PLA2G10 (0.50) CYP3A4SMN1; SMN2TSHRDHODHPLA2G10
SCHEMBL813450 0.81 PARP1 (0.53) CYP3A4SMN1; SMN2TSHRDHODHPARP1
SCHEMBL4447450 0.80 PRSS1 (0.42) CYP3A4SMN1; SMN2TSHRDHODHPLA2G10
SCHEMBL934326 0.80 LOXL2 (0.44) PLAULOXL2SMN1; SMN2TSHRDHODH
SCHEMBL8579500 0.78 CYP3A4 (0.39) PLAUCYP3A4SMN1; SMN2TSHRDHODH
SCHEMBL7902893 0.78 TSHR (0.47) CYP3A4SMN1; SMN2TSHRDHODHPARP1

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 8 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
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 PLAU 24/4885LOXL2 1382/4885CYP3A4 201/4885

“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.