SCHEMBL5467412

SCHEMBL5467412

O=C(COc1ccccc1)Nc1nccc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.56
GAA P10253 1/20 0.54
KDM4E B2RXH2 2/20 0.52
ADORA3 P0DMS8 3/20 0.49
ADORA2A P29274 3/20 0.49
POLB P06746 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GPR34 Q9UPC5 1/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
GSK3B P49841 1/20 0.47
TP53 P04637 2/20 0.46

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
SCHEMBL5465546 0.85 GAA (0.69) GAAADORA3ADORA2AKMT2AMEN1
SCHEMBL5465537 0.81 KMO (0.61) KMOMAPTADORA1LMNA
SCHEMBL5479318 0.81 GAA (0.56) GAAADORA3ADORA2AKMT2AMEN1
SCHEMBL5477050 0.80 PLK1 (0.56) GAAADORA3ADORA2APOLBKMT2A
SCHEMBL5468779 0.80 ADORA3 (0.65) GAAADORA3ADORA2AKMT2AMEN1
SCHEMBL14348340 0.79 MAPT (0.60) GAAKDM4EPOLBKMT2AMEN1
SCHEMBL5465532 0.78 ADORA3 (0.65) GAAADORA3ADORA2AKMT2AMEN1
SCHEMBL5467334 0.78 NPSR1 (0.64) GAAADORA3ADORA2APOLBMAPT
SCHEMBL5465150 0.78 HDAC1 (0.58) GAAADORA3ADORA2AMAPTSMN1; SMN2
SCHEMBL5467323 0.77 GAA (0.60) GAAKDM4EADORA3ADORA2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR KMO 1813/4885GAA 3044/4885KDM4E 2371/4885

“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.