SCHEMBL4684459

SCHEMBL4684459

N=C(N)NCc1cccc(C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
UNG P13051 1/20 0.39
ALDH1A1 P00352 3/20 0.38
AOC3 Q16853 2/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
F10 P00742 2/20 0.37
HPGD P15428 1/20 0.37
NOS1 P29475 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL20973034 0.84 MMP1 (0.41) MAOAMAOBUNGALDH1A1MMP1
SCHEMBL209625 0.80 CYP2D6 (0.54) MAOAMAOBUNGALDH1A1AOC3
SCHEMBL1006378 0.80 EPHX2 (0.49) ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL13920482 0.79 UNG (0.43) MAOAMAOBUNGALDH1A1AOC3
SCHEMBL29954664 0.79 NPSR1 (0.46) UNGALDH1A1MMP1MMP2MMP9
SCHEMBL527598 0.79 NPSR1 (0.46) UNGALDH1A1MMP1MMP2MMP9
SCHEMBL19185450 0.78 KMT2A (0.46) MAOAMAOBUNGALDH1A1AOC3
SCHEMBL14470339 0.76 ALDH1A1 (0.46) ALDH1A1AOC3LMNAMAPTPKM
SCHEMBL17894400 0.76 MAOA (0.46) MAOAMAOBALDH1A1LMNAMAPT
SCHEMBL2717977 0.76 PRSS1 (0.55) ALDH1A1AOC3LMNAMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP claimed
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 claimed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US claimed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP claimed
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 MAOA 2058/4885MAOB 2096/4885UNG 2145/4885

“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.