SCHEMBL4760488

SCHEMBL4760488

NCCNC(=O)CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ECE1 P42892 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
PAOX Q6QHF9 2/20 0.33
ST14 Q9Y5Y6 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TERT O14746 2/20 0.32

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
SCHEMBL12081771 0.86 ALDH1A1 (0.43) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL23813807 0.80 ALDH1A1 (0.40) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL2554762 0.79 ECE1 (0.43) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL9570865 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10ECE1MEN1KMT2A
SCHEMBL5892041 0.78 TSHR (0.45) ALDH1A1MAOBMAOATSHRTPSAB1
SCHEMBL152135 0.78
SCHEMBL38654455 0.78 ALDH1A1 (0.42) ALDH1A1ALOX15CYP2C9HPGDCYP2C19
SCHEMBL24427061 0.78
SCHEMBL18530336 0.77 FAAH (0.45) ALDH1A1HPGDECE1TSHRMEN1
SCHEMBL5152982 0.77 MCL1 (0.50) ALDH1A1HSD17B10ECE1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800868-A Low-viscosity self-thixotropic polyaspartic acid ester and preparation method and application thereof 深圳飞扬骏研新材料股份有限公司 2024-04-02 CN claimed
US-7413727-B2 Contrast agents GE HEALTHCARE AS (NO) 2008-08-19 US claimed
EP-1442751-B1 Diagnostic imaging technique GE HEALTHCARE AS (NO) 2007-06-20 EP claimed
EP-1442751-A1 Method of imaging Amersham Health AS (NO) 2004-08-04 EP claimed
EP-0977600-B1 CONTRAST AGENTS TARGETTING RECEPTORS ASSOCIATED WITH ANGIOGENESIS AMERSHAM HEALTH AS (NO) 2004-06-30 EP claimed
US-20040009122-A1 Contrast agents AMERSHAM HEALTH AS (NO) 2004-01-15 US claimed
US-6610269-B1 Disease state imaged using a targeted contrast agent of the formula V-L-R, where V is a vector moiety having affinity for an angiogenesis-related endothelial cell receptor, L is a linker, R is a macromolecular or particulate label AMERSHAM HEALTH AS (NO) 2003-08-26 US claimed
EP-0977600-A2 CONTRAST AGENTS NYCOMED IMAGING A/S (NO) 2000-02-09 EP claimed
WO-1998047541-B1 CONTRAST AGENTS 1998-11-26 WO claimed
WO-1998047541-A1 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-10-29 WO claimed
CN-117800868-A Low-viscosity self-thixotropic polyaspartic acid ester and preparation method and application thereof 深圳飞扬骏研新材料股份有限公司 2024-04-02 CN disclosed
CN-117800868-A Low-viscosity self-thixotropic polyaspartic acid ester and preparation method and application thereof 深圳飞扬骏研新材料股份有限公司 2024-04-02 CN 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-20040009122-A1 Contrast agents FLT1, FLT4, KDR ALDH1A1 4212/4885ALOX15 3219/4885CYP2C9 4648/4885

“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.