Sugi Predict

Sugi Predict / Compounds / SCHEMBL6706771

SCHEMBL6706771

SCHEMBL6706771

COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.73
▸ ALDH1A1 P00352 6/20 0.70
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MAPT P10636 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ LMNA P02545 2/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.52
▸ TSHR P16473 1/20 0.51

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
SCHEMBL28162015 0.84 GAA (1.00) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL6705972 0.82 ALDH1A1 (1.00) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL562770 0.80 ALDH1A1 (0.68) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL3002479 0.78 GAA (0.71) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL562289 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4083094 0.77 GAA (0.66) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL29460082 0.74 MYB (0.61) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL562822 0.74 MYB (0.61) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL3004197 0.74 GAA (0.69) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL18719845 0.74 GAA (0.69) GAAALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800657-B2 TREATING DISORDER RESPONSIVE TO POSITIVE MODULATION OF AMPA RECEPTORS IN ANIMALS EURO-CELTIQUE S.A. (LU) 2004-10-05 — — US disclosed
US-20040097581-A1 SUBSTITUTED 5-OXO-5, 6, 7, 8-TETRAHYDRO-4H-1-BENZOPYRANS KONKOY CHRISTOPHER S (US) 2004-05-20 — — US disclosed
US-6680332-B1 NEURODEGENERATIVE, ALZHEIMER*S, PARKINSON*S, AND HUNTINGTON*S DISEASE; AMYOTROPHIC LATERAL SCLEROSIS, AIDS-ASSOCIATED DEMENTIA, DOWN SYNDROME AND SCHIZOPHRENIA EURO-CELTIQUE S.A. (LU) 2004-01-20 — — US disclosed
EP-1189896-A1 SUBSTITUTED 5-OXO-5,6,7,8-TETRAHYDRO-4H-1-BENZOPYRANS AND BENZOTHIOPYRANS AND THE USE THEREOF AS POTENTIATORS OF AMPA Euro-Celtique S.A. (LU) 2002-03-27 — — EP disclosed
WO-2000075123-A1 SUBSTITUTED 5-OXO-5,6,7,8-TETRAHYDRO-4H-1-BENZOPYRANS AND BENZOTHIOPYRANS AND THE USE THEREOF AS POTENTIATORS OF AMPA EURO-CELTIQUE S.A. (LU) 2000-12-14 — — WO 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-20040097581-A1 SUBSTITUTED 5-OXO-5, 6, 7, 8-TETRAHYDRO-4H-1-BENZOPYRANS GRIN3A, GRIN1, CHRNA6 GAA 1833/4885ALDH1A1 2597/4885MEN1 4836/4885

“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.