SCHEMBL5535640

SCHEMBL5535640

FCc1cccc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.55
AOC3 Q16853 3/20 0.44
GGPS1 O95749 2/20 0.44
MAOA P21397 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CYP19A1 P11511 1/20 0.44
PRKCI P41743 1/20 0.44
PTPN5 P54829 2/20 0.44
BCL2 P10415 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL16675039 0.96 AGXT (0.52) AGXTAOC3GGPS1MAOACYP11B1
SCHEMBL16675051 0.96 AGXT (0.52) AGXTAOC3GGPS1MAOACYP11B1
SCHEMBL13762847 0.81 BCL2 (0.53) AGXTTAAR1PRKCIBCL2
SCHEMBL2843937 0.80 AGXT (0.59) AGXTAOC3GGPS1MAOACYP11B1
SCHEMBL1337579 0.79 MEN1 (0.40) AGXTMAOATAAR1CYP19A1ALDH1A1
SCHEMBL28832201 0.78 KMO (0.61) BCL2
SCHEMBL16675058 0.78 HTR7 (0.39) AGXTAOC3
SCHEMBL31498881 0.78 CALM1 (0.60) AGXTAOC3GGPS1MAOACYP11B1
SCHEMBL31498880 0.78 CALM1 (0.60) AGXTAOC3GGPS1MAOACYP11B1
SCHEMBL9625135 0.78 CALM1 (0.60) AGXTAOC3GGPS1MAOACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104326952-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-02-04 CN disclosed
CN-104277004-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-01-14 CN disclosed
CN-103180300-A Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO 2013-06-26 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AGXT 2967/4885AOC3 259/4885GGPS1 1717/4885

“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.