SCHEMBL4684077

SCHEMBL4684077

COC(=O)c1ccccc1C(=O)NC(=N)N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 2/20 0.53
CFTR P13569 1/20 0.53
TSHR P16473 3/20 0.50
LMNA P02545 3/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 6/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 6/20 0.45
KMT2A Q03164 4/20 0.45
ALOX12 P18054 3/20 0.45
MEN1 O00255 2/20 0.45
ALOX15 P16050 1/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3070336 0.87 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRCA1CA9
SCHEMBL10369323 0.82 ALDH1A1 (0.60) ALDH1A1HSD17B10CFTRTSHRLMNA
Methyl Salicylate SCHEMBL27460362 0.81 TSHR (0.73) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL28112216 0.80 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL31024408 0.79 TSHR (0.68) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL28758679 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL27930568 0.79 TSHR (0.68) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL790124 0.79 TSHR (0.74) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL29500970 0.79 TSHR (0.74) ALDH1A1HSD17B10CFTRTSHRLMNA
Dimethyl Phthalate SCHEMBL29669976 0.79 TSHR (0.74) ALDH1A1HSD17B10CFTRTSHRLMNA

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 ALDH1A1 622/4885HSD17B10 1277/4885CFTR 4164/4885

“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.