Sugi Predict

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SCHEMBL6705779

SCHEMBL6705779

CN(C)c1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.76
▸ TSHR P16473 2/20 0.76
▸ GRIA3 P42263 1/20 0.68
▸ GRIA4 P48058 1/20 0.68
▸ POLB P06746 4/20 0.67
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ USP2 O75604 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ TP53 P04637 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL31072432 0.89 ALDH1A1 (0.82) ALDH1A1TSHRGRIA3GRIA4POLB
SCHEMBL31072433 0.89 ALDH1A1 (0.82) ALDH1A1TSHRGRIA3GRIA4POLB
SCHEMBL6705949 0.88 ALDH1A1 (0.81) ALDH1A1TSHRGRIA3GRIA4POLB
SCHEMBL6705726 0.88 ALDH1A1 (0.81) ALDH1A1TSHRGRIA3GRIA4POLB
SCHEMBL28669991 0.87 ALDH1A1 (0.79) ALDH1A1TSHRGRIA3GRIA4POLB
SCHEMBL6706684 0.87 ALDH1A1 (0.79) ALDH1A1TSHRGRIA3GRIA4POLB
SCHEMBL6706803 0.87 ALDH1A1 (0.79) ALDH1A1TSHRGRIA3GRIA4POLB
SCHEMBL6706698 0.87 ALDH1A1 (0.79) ALDH1A1TSHRGRIA3GRIA4POLB
SCHEMBL6705746 0.86 ALDH1A1 (1.00) ALDH1A1TSHRGRIA3GRIA4POLB
SCHEMBL6705972 0.85 ALDH1A1 (1.00) ALDH1A1TSHRGRIA3GRIA4POLB

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 ALDH1A1 2597/4885TSHR 318/4885GRIA3 42/4885

“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.