SCHEMBL4684501

SCHEMBL4684501

Nc1nc2ccc([C]=O)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
MAPT P10636 1/20 0.56
AXL P30530 1/20 0.56
GFER P55789 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP3A4 P08684 3/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PI4KA P42356 3/20 0.51
PI4KB Q9UBF8 3/20 0.51
NPC1 O15118 2/20 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
SCHEMBL27034816 0.82 RAB9A (0.61) RAB9AMAPTAXLGFERGAA
SCHEMBL2001976 0.82 APP (0.63) RAB9AMAPTAXLGFERGAA
SCHEMBL10951987 0.79 GFER (0.40) RAB9AMAPTAXLGFERALDH1A1
SCHEMBL8170037 0.79 KMT2A (0.47) RAB9AMAPTGAAHTTALDH1A1
SCHEMBL25303557 0.78 PI4KA (0.59) RAB9AMAPTAXLGFERGAA
SCHEMBL31114602 0.77 RAB9A (0.54) RAB9AMAPTAXLGFERGAA
SCHEMBL25305045 0.77 RAB9A (0.54) RAB9AMAPTAXLGFERGAA
SCHEMBL25258605 0.76 RAB9A (0.53) RAB9AMAPTAXLGFERGAA
SCHEMBL31114500 0.76 RAB9A (0.53) RAB9AMAPTAXLGFERGAA
SCHEMBL334946 0.75 RAB9A (0.66) RAB9AMAPTAXLGFERGAA

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 RAB9A 1858/4885MAPT 4059/4885AXL 704/4885

“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.