Sugi Predict

Sugi Predict / Compounds / SCHEMBL5532296

SCHEMBL5532296

SCHEMBL5532296

CCc1ccc(O)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.39
▸ TKT P29401 1/20 0.38
▸ NOS3 P29474 2/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.33
▸ USP2 O75604 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ GAA P10253 2/20 0.32

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
SCHEMBL14164032 0.83 KDM4E (0.42) NOS3NOS2KDM4EHSD17B10PRKCI
SCHEMBL14001601 0.80 KDM4E (0.36) KDM4EUSP2HPGDHSD17B10ALOX15
SCHEMBL13486465 0.78 HPGD (0.50) NOS3NOS2TRPA1CDK1CDK2
SCHEMBL9753081 0.77 NOS2 (0.43) PARP1TKTNOS3NOS2KDM4E
SCHEMBL10399548 0.77 NOS3 (0.39) PARP1TKTNOS3NOS2TP53
SCHEMBL1252630 0.76 ESR1 (0.39) PARP1NOS3NOS2TRPA1KDM4E
SCHEMBL5016037 0.75 IDO1 (0.39) KDM4EUSP2HPGDHSD17B10NPC1
SCHEMBL21914603 0.75 TKT (0.49) PARP1TKTNOS3NOS2DHFR
Hydrochloric Acid SCHEMBL1250330 0.74 ESR1 (0.38) PARP1TRPA1KDM4EUSP2HPGD
SCHEMBL10162551 0.74 NOS3 (0.36) PARP1TKTNOS3NOS2DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives ENANTA PHARMACEUTICALS, INC. 2010-02-18 — — US disclosed
US-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives WANG GUOQIANG 2008-10-23 — — US disclosed
EP-1814888-A1 AZABENZOXAZOLES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Incorporated (US) 2007-08-08 — — EP disclosed
US-20060173179-A1 Azabenzoxazoles for the treatment of CNS disorders PFIZER INC 2006-08-03 — — US disclosed
WO-2006051394-A1 AZABENZOXAZOLES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-05-18 — — WO disclosed
US-4011326-A 2-Substituted oxazolo[4,5-b]pyridine anti-inflammatory agents MERCK & CO., INC. (US) 1977-03-08 — — 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 (3 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-20060173179-A1 Azabenzoxazoles for the treatment of CNS disorders CHRNA7, CHRNA5, CHRNA10 PARP1 4065/4885TKT 2296/4885NOS3 4060/4885
US-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 PARP1 4488/4885TKT 1118/4885NOS3 84/4885
US-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 PARP1 4488/4885TKT 1118/4885NOS3 84/4885

“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.