Sugi Predict

Sugi Predict / Compounds / SCHEMBL12869050

SCHEMBL12869050

SCHEMBL12869050

O=c1c2ccc3c(=O)n4c5cc(S(=O)(=O)O)ccc5nc4c4ccc(c2c34)c2nc3ccc(S(=O)(=O)O)cc3n12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.51
▸ BCL2 P10415 1/20 0.49
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CAMKK1 Q8N5S9 2/20 0.45
▸ CAMKK2 Q96RR4 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2B P67870 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43

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
SCHEMBL12882433 1.00 AHR (0.51) AHRBCL2KMT2AMEN1MAPT
SCHEMBL16180896 0.94 BCL2 (0.59) AHRBCL2KMT2AMEN1MAPT
SCHEMBL14621322 0.90 AHR (0.43) AHRBCL2KMT2AMEN1MAPT
SCHEMBL14621221 0.90 AHR (0.43) AHRBCL2KMT2AMEN1MAPT
SCHEMBL14621223 0.90 AHR (0.43) AHRBCL2KMT2AMEN1MAPT
SCHEMBL14621323 0.89 AHR (0.42) AHRBCL2KMT2AMEN1MAPT
SCHEMBL14300105 0.89 BCL2 (0.49) AHRBCL2KMT2AMEN1MAPT
SCHEMBL15906200 0.88 BCL2 (0.48) AHRBCL2KMT2AMEN1MAPT
SCHEMBL14589918 0.87 AHR (0.41) AHRBCL2KMT2AMEN1MAPT
SCHEMBL14621252 0.87 AHR (0.41) AHRBCL2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9733406-B2 Organic compound, anisotropic optical film and method of production thereof CRYSOPTIX KK (JP) 2017-08-15 — — US disclosed
US-9733406-B2 Organic compound, anisotropic optical film and method of production thereof CRYSOPTIX KK (JP) 2017-08-15 — — US disclosed
US-20150062694-A1 Organic Compound, Anisotropic Optical Film and Method of Production Thereof CRYSOPTIX KK (JP) 2015-03-05 — — US disclosed
US-20150062694-A1 Organic Compound, Anisotropic Optical Film and Method of Production Thereof CRYSOPTIX KK (JP) 2015-03-05 — — US disclosed
US-8865895-B2 Organic compound, anisotropic optical film and method of production thereof CRYSOPTIX K.K. (JP) 2014-10-21 — — US disclosed
US-8865895-B2 Organic compound, anisotropic optical film and method of production thereof CRYSOPTIX K.K. (JP) 2014-10-21 — — US disclosed
US-7888505-B2 6,7-dihydrobenzimidazo[1,2-c]quinazolin-6-one carboxylic acids, their esters, and methods of synthesis thereof Crysoptix, KK (JP) 2011-02-15 — — US disclosed
US-7888505-B2 6,7-dihydrobenzimidazo[1,2-c]quinazolin-6-one carboxylic acids, their esters, and methods of synthesis thereof Crysoptix, KK (JP) 2011-02-15 — — US disclosed
US-20100047477-A1 6,7-Dihydrobenzimidazo[1,2-c]Quinazolin-6-One Carboxylic Acids, their Esters, and Methods of Synthesis Thereof CRYSOPTIX KK (JP) 2010-02-25 — — US disclosed
US-20100047477-A1 6,7-Dihydrobenzimidazo[1,2-c]Quinazolin-6-One Carboxylic Acids, their Esters, and Methods of Synthesis Thereof CRYSOPTIX KK (JP) 2010-02-25 — — US disclosed
US-20090191394-A1 Oarganic Compound, Optical Crystal Film and Method of Production Thereof CRYSOPTIX K.K. (JP) 2009-07-30 — — US disclosed
US-20090191394-A1 Oarganic Compound, Optical Crystal Film and Method of Production Thereof CRYSOPTIX K.K. (JP) 2009-07-30 — — US disclosed
EP-1663995-B1 SULFODERIVATIVES OF ACENAPHTHO [1,2-B]QUINOXALINE, LYOTROPIC LIQUID CRYSTAL AND ANISOTROPIC FILM ON THEIR BASE NITTO DENKO CORP (JP) 2007-09-05 — — EP disclosed
US-7262305-B2 Anisotropic films based on 1,8-naphthoylene-1′,2′-benzimidazole sulfonates and lyotropic liquid crystal systems and methods for making NITTO DENKO CORPORATION (JP) 2007-08-28 — — US disclosed
US-7262305-B2 Anisotropic films based on 1,8-naphthoylene-1′,2′-benzimidazole sulfonates and lyotropic liquid crystal systems and methods for making NITTO DENKO CORPORATION (JP) 2007-08-28 — — US disclosed
WO-2007080419-A1 ORGANIC COMPOUND, ANISOTROPIC OPTICAL FILM AND METHOD OF PRODUCTION THEREOF CRYSOPTIX K.K. (JP) 2007-07-19 — — WO disclosed
WO-2007042788-A2 ACENAPHTHOQUINOXALINE SULFONAMIDE DERIVATIVES, OPTICAL CRYSTAL FILM AND METHOD OF PRODUCTION THEREOF CRYSOPTIX LIMITED (CY) 2007-04-19 — — 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-20090191394-A1 Oarganic Compound, Optical Crystal Film and Method of Production Thereof HCN3, CFH, KCNH1 AHR 1517/4885BCL2 3062/4885KMT2A 1897/4885
US-20150062694-A1 Organic Compound, Anisotropic Optical Film and Method of Production Thereof KCNH3, ORAI3, KCNN4 AHR 1212/4885BCL2 2642/4885KMT2A 1594/4885
US-20100047477-A1 6,7-Dihydrobenzimidazo[1,2-c]Quinazolin-6-One Carboxylic Acids, their Esters, and Methods of Synthesis Thereof SCN7A, CA7, HCN3 AHR 800/4885BCL2 3068/4885KMT2A 2767/4885

“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.