SCHEMBL5470848

SCHEMBL5470848

O=C(COc1ccccc1)Nc1nccc(-c2ccccc2Cl)n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.61
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ NOTUM Q6P988 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HPGD P15428 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
SCHEMBL5462667 0.86 GAA (0.61) GAARAB9ANPC1NPSR1ADORA3
SCHEMBL5465546 0.84 GAA (0.69) GAARAB9ANPC1NPSR1ADORA3
SCHEMBL5467334 0.83 NPSR1 (0.64) GAARAB9ANPC1NPSR1ADORA3
SCHEMBL5478064 0.79 KMT2A (0.52) GAARAB9ANPC1ADORA3LMNA
SCHEMBL5465532 0.79 ADORA3 (0.65) GAARAB9ANPC1ADORA3ADORA2A
SCHEMBL5468779 0.79 ADORA3 (0.65) GAARAB9ANPC1NPSR1ADORA3
SCHEMBL5467323 0.78 GAA (0.60) GAARAB9ANPC1ADORA3ADORA2A
SCHEMBL5473336 0.77 GAA (0.59) GAANPSR1ADORA3ADORA2ALMNA
SCHEMBL5479318 0.75 GAA (0.56) GAANPSR1ADORA3ADORA2ALMNA
SCHEMBL5465150 0.74 HDAC1 (0.58) GAARAB9ANPC1ADORA3ADORA2A

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 GAA 3044/4885RAB9A 3039/4885NPC1 1950/4885

“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.

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