SCHEMBL5468779

SCHEMBL5468779

O=C(COc1ccccc1)Nc1nccc(-c2ccc(F)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.65
▸ ADORA2A P29274 3/20 0.65
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ GAA P10253 1/20 0.61
▸ ADORA1 P30542 1/20 0.50
▸ PIK3CA P42336 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ TP53 P04637 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NOTUM Q6P988 1/20 0.46
▸ THRB P10828 1/20 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 0.91 GAA (0.69) ADORA3ADORA2AMEN1KMT2AGAA
SCHEMBL5465532 0.88 ADORA3 (0.65) ADORA3ADORA2AMEN1KMT2AGAA
SCHEMBL5467334 0.88 NPSR1 (0.64) ADORA3ADORA2AGAAADORA1NPC1
SCHEMBL5467323 0.87 GAA (0.60) ADORA3ADORA2AMEN1KMT2AGAA
SCHEMBL5479318 0.86 GAA (0.56) ADORA3ADORA2AMEN1KMT2AGAA
SCHEMBL5473336 0.86 GAA (0.59) ADORA3ADORA2AMEN1KMT2AGAA
SCHEMBL5460119 0.85 ADORA3 (0.53) ADORA3ADORA2AMEN1KMT2AGAA
SCHEMBL5462667 0.83 GAA (0.61) ADORA3ADORA2AGAAADORA1NPC1
SCHEMBL5465150 0.81 HDAC1 (0.58) ADORA3ADORA2AGAAADORA1PIK3CG
SCHEMBL5467412 0.80 KMO (0.56) ADORA3ADORA2AMEN1KMT2AGAA

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 ADORA3 187/4885ADORA2A 307/4885MEN1 2400/4885

“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.

Send feedback