SCHEMBL5828102

SCHEMBL5828102

C[C@H](Nn1nccn1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
KDM4C Q9H3R0 1/20 0.33
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL7358241 0.76 TP53 (0.31) TP53
SCHEMBL503134 0.76 TP53 (0.31) TP53
SCHEMBL503650 0.72 ALDH1A1 (0.36) ALDH1A1KDM4CHTTHDAC4HDAC7
SCHEMBL22660988 0.72 ALDH1A1 (0.36) ALDH1A1KDM4CHTTHDAC4HDAC7
SCHEMBL7173837 0.71 KDM4E (0.42) ALDH1A1HTT
SCHEMBL781662 0.68 TBXAS1 (0.40) ALDH1A1
SCHEMBL6395056 0.68 FOLH1 (0.34) KDM4C
SCHEMBL15799718 0.68 LMNA (0.38) ALDH1A1
SCHEMBL781661 0.68 TBXAS1 (0.40) ALDH1A1
SCHEMBL5515039 0.67 HDAC4 (0.34) HTTTP53HDAC4HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191106-B1 Process for the fermentative preparation of non-proteinogenic L-amino acids CONSORTIUM ELEKTROCHEM IND (DE) 2004-04-28 EP claimed
US-7015331-B2 Non-proteinogenic L-amino acids Consortium für elektrochemische Industrie GmbH (DE) 2006-03-21 US disclosed
US-20050222426-A1 Non-proteinogenic L-amino acids CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-10-06 US disclosed
US-6939967-B2 Non-proteinogenic L-amino acids Consortium für elektrochemische Industrie GmbH (DE) 2005-09-06 US disclosed
US-20040197879-A1 Process for producing non-proteinogenic L-amino acids by fermentation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2004-10-07 US disclosed
US-6756216-B2 BATCH PROCESSING USING NUCLEOPHILIC COMPOUND Consortium für elektrochemische Industrie GmbH (DE) 2004-06-29 US disclosed
EP-1191106-B1 Process for the fermentative preparation of non-proteinogenic L-amino acids CONSORTIUM ELEKTROCHEM IND (DE) 2004-04-28 EP disclosed
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2002-04-04 US disclosed
EP-1191106-A1 Verfahren zur fermentativen Herstellung von nicht-proteinogenen L-Aminosäuren Consortium für elektrochemische Industrie GmbH (DE) 2002-03-27 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 (2 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-20050222426-A1 Non-proteinogenic L-amino acids BCAT2, BCAT1, CBS ALDH1A1 1606/4885KDM4C 3643/4885HTT 4345/4885
US-20020039767-A1 Process for producing non-proteinogenic L-amino acids by fermentation CBS, BCAT2, BCAT1 ALDH1A1 2149/4885KDM4C 4001/4885HTT 3721/4885

“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.