SCHEMBL6701286

SCHEMBL6701286

CNC(=O)NC(=N)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.55
LIPG Q9Y5X9 1/20 0.49
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
LNPEP Q9UIQ6 1/20 0.48
PADI3 Q9ULW8 5/20 0.46
PADI1 Q9ULC6 2/20 0.46
CFD P00746 1/20 0.44
PADI4 Q9UM07 4/20 0.44
PADI2 Q9Y2J8 2/20 0.44
KCNB1 Q14721 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SRC P12931 1/20 0.43
ATG4B Q9Y4P1 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL14365887 0.86 AOC3 (0.63) AOC3LIPGERAP2ERAP1LNPEP
SCHEMBL6418674 0.76 AOC3 (0.67) AOC3LIPGERAP2ERAP1LNPEP
SCHEMBL19164540 0.76 AOC3 (0.39) AOC3LIPGERAP2ERAP1LNPEP
SCHEMBL6702001 0.75 MTNR1A (0.59)
SCHEMBL30259900 0.74 AOC3 (0.72) AOC3LIPGERAP2ERAP1LNPEP
SCHEMBL6230841 0.74 AOC3 (0.63) AOC3LIPGERAP2ERAP1LNPEP
SCHEMBL7673239 0.73 AOC3 (0.58) AOC3LIPGERAP2ERAP1LNPEP
SCHEMBL28500093 0.73 MMP1 (0.63)
SCHEMBL14868321 0.73 ALOX12 (0.47)
SCHEMBL18638228 0.73 ERAP2 (0.67) AOC3LIPGERAP2ERAP1LNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HONG YUFENG (US) 2004-03-04 US disclosed
EP-1332127-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS Warner-Lambert Company LLC (US) 2003-08-06 EP disclosed
WO-2002036554-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS WARNER-LAMBERT COMPANY LLC (US) 2002-05-10 WO 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-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HTR7, HTR1A, HTR2C AOC3 1745/4885LIPG 2170/4885ERAP2 2679/4885

“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.