SCHEMBL2851003

SCHEMBL2851003

CC(C)Sc1ccc([N+](=O)[O-])cc1C(N)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.41
KMO O15229 1/20 0.39
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
GRM8 O00222 1/20 0.38
GRM4 Q14833 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL2850999 1.00 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL14008890 0.87 ALDH1A1 (0.46) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL16970682 0.81 CYP3A4 (0.49) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL2855258 0.79 ITGA4 (0.42) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL2855254 0.79 ITGA4 (0.42) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL16970721 0.79 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL25392464 0.78 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL28112642 0.78 ALDH1A1 (0.49) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL2857900 0.78 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL2857898 0.78 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAHTTSMN1; SMN2

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 5 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
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 ALDH1A1 2963/4885KMT2A 2453/4885LMNA 292/4885

“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.