SCHEMBL4684573

SCHEMBL4684573

CCOC(=O)C1CCCN(c2ccncc2)C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
KMT2A Q03164 4/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 3/20 0.53
USP2 O75604 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
S100A4 P26447 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 2/20 0.52
RAB9A P51151 1/20 0.52
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SHMT2 P34897 1/20 0.51

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
SCHEMBL31175186 0.87 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KMT2AHPGDHTT
SCHEMBL31401389 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2AHPGDMEN1
SCHEMBL30637174 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2AHPGDMEN1
SCHEMBL31401064 0.86 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2AHPGDMEN1
SCHEMBL31401390 0.85 KDM4E (0.46) ALDH1A1SMN1; SMN2KMT2AHPGDMEN1
SCHEMBL6181055 0.85 LMNA (0.61) ALDH1A1SMN1; SMN2HPGDPOLBUSP2
SCHEMBL21848213 0.85 SHMT2 (0.59) ALDH1A1SMN1; SMN2KMT2AHPGDPOLB
SCHEMBL1648624 0.84 MAPT (0.64) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL30637198 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL22149667 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP disclosed
US-6294549-B1 COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. MERCK & CO., INC. 2001-09-25 US disclosed
US-5952306-A INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES MERCK & CO., INC. (US) 1999-09-14 US disclosed
EP-0880511-A4 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-06-16 EP disclosed
EP-0880511-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-12-02 EP disclosed
WO-1997026250-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO 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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 ALDH1A1 622/4885SMN1; SMN2 3990/4885KMT2A 3854/4885

“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.