SCHEMBL4682297

SCHEMBL4682297

O=C(O)c1cc2c(cc1Br)CCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
HPGD P15428 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 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
SCHEMBL30034453 0.85 SMN1; SMN2 (0.73) SMN1; SMN2HPGDLCKFYNCA12
SCHEMBL23577723 0.85 SMN1; SMN2 (0.73) SMN1; SMN2HPGDLCKFYNCA12
SCHEMBL14907130 0.82 SMN1; SMN2 (0.86) SMN1; SMN2HPGDLCKFYNCA12
SCHEMBL1701459 0.77 AHR (0.42) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL17782570 0.76 FABP4 (0.48) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL25165984 0.76 PKM (0.43) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4684053 0.74 FABP4 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31431517 0.74 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHDAC3HDAC4HDAC1
SCHEMBL7216296 0.74 SMN1; SMN2 (0.73) SMN1; SMN2HPGDLCKFYNCA12
SCHEMBL30617194 0.74 SMN1; SMN2 (0.73) SMN1; SMN2HPGDLCKFYNCA12

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 4 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

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 SMN1; SMN2 3990/4885HPGD 410/4885HDAC3 1097/4885

“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.