SCHEMBL5482541

SCHEMBL5482541

C=CCNC(=O)C=CC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 4/20 0.46
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
HPGD P15428 2/20 0.40
DDAH1 O94760 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
FAAH O00519 1/20 0.36
FGFR4 P22455 1/20 0.36
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9281803 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL4557966 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL6435438 0.89 SMN1; SMN2 (0.52) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL6435439 0.89 SMN1; SMN2 (0.52) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL4318714 0.80 ALDH1A1 (0.46) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL239953 0.80 ALDH1A1 (0.46) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL239954 0.80 ALDH1A1 (0.46) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
Acrylamide SCHEMBL9362700 0.80 ALDH1A1 (0.52) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL307121 0.76
SCHEMBL10499492 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275869-A1 Polysaccharide Derivatives, Their Production and Use BIOGHURT BIOGARDE GMBH & CO., KG (DE) 2007-11-29 US claimed
US-20070275869-A1 Polysaccharide Derivatives, Their Production and Use BIOGHURT BIOGARDE GMBH & CO., KG (DE) 2007-11-29 US disclosed
US-20020119171-A1 COPOLYMERIC HYDROPHOBICALLY MODIFIED POLYASPARTIC ESTER AMIDES AND THEIR USE GOLDSCHMIDT AG (DE) 2002-08-29 US disclosed
EP-0155567-B1 LIGHT-TRANSMITTING FIBER MITSUBISHI RAYON CO., LTD. (JP) 1991-12-04 EP disclosed
US-4693553-A Light-transmitting fiber MITSUBISHI RAYON COMPANY LTD. (JP) 1987-09-15 US disclosed
US-4464506-A COPOLYMER OF VINYL ORGANOSILOXANE, SI-H GROUP ORGANOSILOXANE, AND ADDITIONAL MONOMER BAYER AKTIENGESELLSCHAFT (DE) 1984-08-07 US disclosed
US-4463127-A Crosslinkable graft polymer dispersion of organopolysiloxanes containing hydrogen-siloxane groups and Si-vinyl groups BAYER AKTIENGESELLSCHAFT (DE) 1984-07-31 US 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-20020119171-A1 COPOLYMERIC HYDROPHOBICALLY MODIFIED POLYASPARTIC ESTER AMIDES AND THEIR USE ARGLU1, ARG1, SLC7A1 ALDH1A1 3048/4885TSHR 1380/4885MAPT 4143/4885

“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.