SCHEMBL728496

SCHEMBL728496

O=C(O)C1C2C=CC(C2)C1C(=O)Nc1ccc(I)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 5/20 0.67
GAA P10253 4/20 0.67
RAB9A P51151 3/20 0.61
HPGD P15428 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
FPR2 P25090 4/20 0.60
NPC1 O15118 3/20 0.60
KDM4E B2RXH2 3/20 0.60
MAPT P10636 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 1/20 0.57

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
SCHEMBL19425502 0.86 POLB (0.75) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL20705655 0.86 POLB (0.75) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL5862372 0.86 POLB (0.75) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL7822057 0.85 POLB (0.74) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL7814775 0.85 POLB (0.74) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL15702626 0.85 POLB (0.78) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL19425598 0.85 POLB (0.74) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL15702588 0.85 POLB (0.74) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL20009934 0.85 POLB (1.00) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL726935 0.85 POLB (0.74) POLBMEN1KMT2AALDH1A1GAA

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
WO-2011163502-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 WO disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2011-12-29 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-20110319454-A1 DERIVATIVES OF CYCLOALKYL- AND CYCLOALKENYL-1,2-DICARBOXYLIC ACID COMPOUNDS HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY FPR1, FPR2, FPR3 POLB 4020/4885MEN1 2722/4885KMT2A 4493/4885

“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.