SCHEMBL4598099

SCHEMBL4598099

NCc1cccc(NC=O)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
ALDH1A1 P00352 1/20 0.48
PNMT P11086 1/20 0.44
ENPP2 Q13822 1/20 0.44
LOXL2 Q9Y4K0 3/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
CFD P00746 1/20 0.42
BPTF Q12830 1/20 0.40

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
SCHEMBL10133361 0.84 ALDH1A1 (0.52) HTR6ALDH1A1
SCHEMBL11616567 0.81 CYP3A4 (0.50) HTR6ALDH1A1
SCHEMBL1188674 0.81 RAPGEF4 (0.49) ALDH1A1
SCHEMBL14401880 0.81 ALDH1A1 (0.48) ALDH1A1ENPP2
SCHEMBL19279237 0.81 ALDH1A1 (0.48) HTR6ALDH1A1
SCHEMBL17383380 0.81 ALDH1A1 (0.48) HTR6ALDH1A1
SCHEMBL6535170 0.81 ALDH1A1 (0.48) HTR6ALDH1A1
SCHEMBL28065640 0.81 HTR6 (0.46) HTR6ALDH1A1PNMTENPP2LOXL2
SCHEMBL4573269 0.79 ALDH1A1 (0.50) ALDH1A1LOXL2
SCHEMBL11675580 0.79 PNMT (0.50) ALDH1A1PNMT

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 12 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
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1964561-A1 Inhibitors of IMPDH enzyme Vertex Pharmaceuticals Incorporated (US) 2008-09-03 EP disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
CN-100351228-C Hydroxamic acid derivatives and the method for preparing thereof AMOREPACIFIC CORP (KR) 2007-11-28 CN 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
CN-1839115-A Hydroxamic acid derivatives and preparation method thereof AMOREPACIFIC CORP (KR) 2006-09-27 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 HTR6 1580/4885ALDH1A1 2963/4885PNMT 2000/4885

“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.