SCHEMBL2852699

SCHEMBL2852699

COC(=O)c1cc(OC)ccc1-n1nc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
KLF5 Q13887 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP2D6 P10635 1/20 0.47
ADORA2A P29274 3/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GFER P55789 1/20 0.45
GAA P10253 2/20 0.44
HPGD P15428 2/20 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
SCHEMBL8266910 0.86 GFER (0.45) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7546922 0.84 MAPT (0.48) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL8266606 0.81 ALDH1A1 (0.49) TSHRRAB9AALDH1A1KDM4EADORA2A
SCHEMBL16910766 0.78 TSHR (0.49) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL15442407 0.77 KMT2A (0.54) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL15333067 0.76 KDM4E (0.46) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16910723 0.76 KDM4E (0.47) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL27938659 0.76 LMNA (0.53) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2848755 0.75 KDM4E (0.45) LMNACYP3A4CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL29956657 0.75 KDM4E (0.45) LMNACYP3A4CYP1A2CYP2C9CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
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
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 LMNA 292/4885CYP3A4 201/4885CYP1A2 409/4885

“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.