SCHEMBL1601229

SCHEMBL1601229

Cc1cc2cc(C(=O)O)ccc2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ MGAM O43451 1/20 0.42
▸ P4HA1 P13674 2/20 0.41
▸ P4HTM Q9NXG6 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ SRPK1 Q96SB4 1/20 0.40

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
SCHEMBL22672623 0.93 KDM4E (0.51) CYP2A6CYP1A2TDP1KDM4ESMN1; SMN2
SCHEMBL16880778 0.81 ALOX15 (0.51) CYP2A6CYP1A2TDP1KDM4EALDH1A1
SCHEMBL31250398 0.81 ALOX15 (0.51) CYP2A6CYP1A2TDP1KDM4EALDH1A1
SCHEMBL19296076 0.81 PLAU (0.51) CYP2A6CYP1A2SMN1; SMN2PSMD14
SCHEMBL2671581 0.79 GABRP (0.56) TDP1KDM4ESMN1; SMN2MGAMP4HA1
SCHEMBL15507160 0.79 NAPRT (0.56) TDP1KDM4EMGAMP4HA1P4HTM
SCHEMBL1595210 0.79 KDM4E (0.43) TDP1KDM4ERAB9AMGAMP4HA1
SCHEMBL31611324 0.79 NAPRT (0.56) TDP1KDM4EMGAMP4HA1P4HTM
SCHEMBL2671513 0.78 HCAR3 (0.60) KDM4ESRPK1
SCHEMBL28025 0.76 KDM4E (0.59) CYP2A6TDP1KDM4ETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10460879-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode, and method for producing dye-sensitized solar cell FUJIFILM CORPORATION (JP) 2019-10-29 — — US disclosed
EP-2922137-B1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR MANUFACTURING DYE-SENSITIZED SOLAR CELL FUJIFILM CORP (JP) 2019-04-03 — — EP disclosed
US-20150248969-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2015-09-03 — — US disclosed
US-20150248969-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2015-09-03 — — US disclosed
EP-1809282-B1 THIADIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2013-01-09 — — EP disclosed
US-7919514-B2 Protein kinase B inhibitors; anticarcinogenic, antiinflammatory and antiproliferative agents; metabolic disorders; 3-(3-fluoro-phenyl)-N-[5-(3-methyl-1H-indazol-5-yl)-[1,3,4]thiadiazol-2-yl]-propane-1,2-diamine and derivatives AMGEN INC. (US) 2011-04-05 — — US disclosed
US-7700636-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2010-04-20 — — US disclosed
CN-101389335-A Thiadiazole compounds and methods of use. AMGEN INC (US) 2009-03-18 — — CN disclosed
US-20080269243-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-30 — — US disclosed
US-20080255145-A1 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-10-16 — — US disclosed
US-7354944-B2 Thiadiazole compounds and methods of use AMGEN INC. (US) 2008-04-08 — — US disclosed
EP-1809282-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2007-07-25 — — EP disclosed
US-20060154961-A1 Thiadiazole compounds and methods of use AMGEN INC. 2006-07-13 — — US disclosed
WO-2006044860-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-04-27 — — 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 (5 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-20080255145-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 CYP2A6 2868/4885CYP1A2 1833/4885TDP1 2537/4885
US-20150248969-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL CHRM1, L1CAM, CRY1 CYP2A6 3021/4885CYP1A2 2213/4885TDP1 4098/4885
US-20080269243-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 CYP2A6 2868/4885CYP1A2 1833/4885TDP1 2537/4885
US-10460879-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode, and method for producing dye-sensitized solar cell CHRM1, L1CAM, CRY1 CYP2A6 3345/4885CYP1A2 2361/4885TDP1 4012/4885
US-20060154961-A1 Thiadiazole compounds and methods of use PDK2, PDK1, PANK2 CYP2A6 2868/4885CYP1A2 1833/4885TDP1 2537/4885

“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.

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