Sugi Predict

Sugi Predict / Compounds / SCHEMBL10025829

SCHEMBL10025829

SCHEMBL10025829

Cn1c(=O)c2ccccc2c2c3ccccc3c(c3ccccc3c(=O)oc3ccccc31)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ CDC25A P30304 1/20 0.40
▸ CDC25C P30307 1/20 0.40
▸ ACHE P22303 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 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
SCHEMBL10025822 0.81 CDC25A (0.50) NPC1RAB9ACDC25ACDC25CALDH1A1
SCHEMBL10025828 0.77 L3MBTL1 (0.60) TDP1L3MBTL1NPC1RAB9ACDC25A
SCHEMBL10025819 0.75 L3MBTL1 (0.69) TDP1L3MBTL1NPC1RAB9ACDC25A
SCHEMBL31276757 0.72 GPR3 (0.65) NPC1RAB9ACDC25ACDC25CALDH1A1
SCHEMBL346785 0.72 GPR3 (0.65) NPC1RAB9ACDC25ACDC25CALDH1A1
SCHEMBL170140 0.70 MAPK1 (0.57) ALDH1A1SMN1; SMN2GAAHPGDTSHR
SCHEMBL29455598 0.70 MAPK1 (0.57) ALDH1A1SMN1; SMN2GAAHPGDTSHR
SCHEMBL17177077 0.69 KDM4E (0.49) TDP1L3MBTL1ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL29709689 0.69 MAPK1 (0.55) ALDH1A1SMN1; SMN2GAAHPGDTSHR
SCHEMBL11188527 0.69 ATM (0.56) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 — — US disclosed
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 — — US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 — — US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 — — 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-20080171225-A1 Novel Materials For Organic Electroluminescent Devices OR10J3, EML4, TYR TDP1 1990/4885L3MBTL1 1759/4885NPC1 4266/4885

“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.