SCHEMBL537817

SCHEMBL537817

[O]n1nnc2ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.51
CUL4A Q13619 1/20 0.44
GLA P06280 2/20 0.42
THRB P10828 1/20 0.42
SLC9A1 P19634 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 2/20 0.39
F12 P00748 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHEK1 O14757 1/20 0.39
LIMK1 P53667 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL25280975 0.78 KMO (0.49) KMOCUL4AGLATHRBSLC9A1
SCHEMBL29373587 0.76 POLB (0.53) KMOCUL4AGLATHRBSLC9A1
SCHEMBL83509 0.76 POLB (0.53) KMOCUL4AGLATHRBSLC9A1
SCHEMBL14477426 0.76 ALDH1A1 (0.53) KMOCUL4AGLATHRBSLC9A1
SCHEMBL14476937 0.76 KEAP1 (0.53) KMOCUL4ASLC9A1KMT2AMEN1
Water SCHEMBL2477026 0.74 POLB (0.52) KMOCUL4AGLATHRBSLC9A1
Hydrochloric Acid SCHEMBL30439745 0.74 POLB (0.52) KMOCUL4AGLATHRBSLC9A1
Water SCHEMBL22636774 0.74 POLB (0.52) KMOCUL4AGLATHRBSLC9A1
SCHEMBL27380658 0.74 KMO (0.57) KMOCUL4AGLATHRBSLC9A1
SCHEMBL27476986 0.72 KMT2A (0.52) KMOCUL4AGLATHRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4242507-A Sulfonic acid esters FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 US claimed
US-8716435-B2 Multibranched polyoxyalkylene compound and producing method thereof NOF CORPORATION (JP) 2014-05-06 US disclosed
EP-2415800-B1 HYPERBRANCHED POLYOXYALKYLENE COMPOUND AND METHOD FOR PRODUCING SAME NOF CORP (JP) 2013-10-16 EP disclosed
US-20120225937-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PG12 RECEPTOR AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2012-09-06 US disclosed
EP-2480526-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PGI2 RECEPTOR AGONISTS Arena Pharmaceuticals, Inc. (US) 2012-08-01 EP disclosed
EP-2415800-A1 HYPERBRANCHED POLYOXYALKYLENE COMPOUND AND METHOD FOR PRODUCING SAME NOF Corporation (JP) 2012-02-08 EP disclosed
WO-2011037613-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PGI2 RECEPTOR AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2011-03-31 WO disclosed
US-20100261863-A1 MULTIBRANCHED POLYOXYALKYLENE COMPOUND AND PRODUCING METHOD THEREOF NOF CORPORATION (JP) 2010-10-14 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 (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-20120225937-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PG12 RECEPTOR AGONISTS PTGIR, PTGIS, TBXA2R KMO 1397/4885CUL4A 4832/4885GLA 2505/4885
US-20100261863-A1 MULTIBRANCHED POLYOXYALKYLENE COMPOUND AND PRODUCING METHOD THEREOF OPRM1, AOC2, OPRK1 KMO 717/4885CUL4A 2358/4885GLA 3279/4885

“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.