Sugi Predict

Sugi Predict / Compounds / SCHEMBL972546

SCHEMBL972546

SCHEMBL972546

O=CN(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP2A6 P11509 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ERN1 O75460 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38

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
SCHEMBL6903434 0.89 ALDH1A1 (0.48) SIGMAR1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL4113945 0.88 SIGMAR1 (0.45) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL15453222 0.83 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL1486298 0.79 SIGMAR1 (0.53) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL17577878 0.79 SIGMAR1 (0.44) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL4620509 0.78 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL5009898 0.76 SIGMAR1 (0.49) SIGMAR1ALDH1A1CYP2A6TSHRCYP1A2
SCHEMBL5012120 0.75 SIGMAR1 (0.49) SIGMAR1ALDH1A1CYP2A6CYP1A2HPGD
SCHEMBL6568773 0.74 SIGMAR1 (0.56) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL516020 0.74 SIGMAR1 (0.56) SIGMAR1ALDH1A1CYP2A6TSHRHSD17B10

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5275816-A Cephalosporin derivatives BEECHAM GROUP P.L.C. (GB) 1994-01-04 — — US claimed
WO-2024043261-A1 AZO COMPOUND OR SALT THEREOF, AND POLARIZING FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING SAME 日本化薬株式会社 2024-02-29 — — WO disclosed
US-11802208-B2 Stilbene-based compound or salt thereof, and polarizing film, polarizing plate, and display device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2023-10-31 — — US disclosed
US-20230019461-A1 POLARIZED LIGHT-EMITTING FILM CONTAINING WATER-SOLUBLE COUMARIN COMPOUND OR SALT THEREOF, POLARIZED LIGHT-EMITTING PLATE, AND DISPLAY DEVICE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2023-01-19 — — US disclosed
CN-110945083-B Styrene compound or salt thereof, polarizing film, polarizing plate and display device 日本化药株式会社 2022-07-01 — — CN disclosed
EP-3998502-A1 POLARIZED LIGHT-EMITTING FILM CONTAINING WATER-SOLUBLE COUMARIN COMPOUND OR SALT THEREOF, POLARIZED LIGHT-EMITTING PLATE, AND DISPLAY DEVICE Nippon Kayaku Kabushiki Kaisha (JP) 2022-05-18 — — EP disclosed
CN-114026199-A Polarizing luminescent film, polarizing luminescent sheet, and display device containing water-soluble coumarin compound or salt thereof 日本化药株式会社 2022-02-08 — — CN disclosed
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 — — EP disclosed
EP-3660106-A1 STILBENE COMPOUND OR SALT THEREOF, POLARIZING FILM, POLARIZING PLATE AND DISPLAY DEVICE Nippon Kayaku Kabushiki Kaisha (JP) 2020-06-03 — — EP disclosed
US-20200157353-A1 STILBENE-BASED COMPOUND OR SALT THEREOF, AND POLARIZING FILM, POLARIZING PLATE, AND DISPLAY DEVICE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-05-21 — — US disclosed
US-20090062258-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-05 — — US disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 — — US disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 — — WO disclosed
EP-1847541-A1 FUSED PYRIMIDINE DERIVATIVE AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-10-24 — — EP disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 — — US disclosed
EP-1007032-B1 4-CYANO-4-DEFORMYLSORDARICIN DERIVATIVES MERCK & CO INC (US) 2003-04-23 — — EP disclosed
US-6136853-A FUNGICIDE; ANTIBIOTIC MERCK & CO., INC. (US) 2000-10-24 — — US disclosed
EP-0929217-A4 SORDARIN DERIVATIVES MERCK & CO INC (US) 1999-12-15 — — EP disclosed
EP-0929217-A1 SORDARIN DERIVATIVES Merck & Co., Inc. (US) 1999-07-21 — — EP disclosed
WO-1998015178-A1 SORDARIN DERIVATIVES MERCK & CO., INC. (US) 1998-04-16 — — 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 (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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 SIGMAR1 628/4885ALDH1A1 1875/4885CYP2A6 297/4885
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C3AR1, C1S SIGMAR1 275/4885ALDH1A1 1982/4885CYP2A6 207/4885
US-20090062258-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF GNRHR, FSHR, NPY4R SIGMAR1 407/4885ALDH1A1 4008/4885CYP2A6 932/4885

“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.