SCHEMBL3388965

SCHEMBL3388965

O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5c(O)cccc5c(=O)c43)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.55
CHEK1 O14757 2/20 0.48
MAOA P21397 3/20 0.46
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
AR P10275 2/20 0.42
PBRM1 Q86U86 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 2/20 0.41
EGFR P00533 2/20 0.41
MEN1 O00255 1/20 0.41
CASP6 P55212 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL29709174 0.88 NQO1 (0.53) NQO1CHEK1MAOACDK4CCND1
SCHEMBL29352979 0.88 NQO1 (0.53) NQO1CHEK1MAOACDK4CCND1
SCHEMBL11444242 0.88 NQO1 (0.53) NQO1CHEK1MAOACDK4CCND1
SCHEMBL75410 0.88 NQO1 (0.53) NQO1CHEK1MAOACDK4CCND1
SCHEMBL1881371 0.86 NQO1 (0.51) NQO1CHEK1MAOACDK4CCND1
Hydrochloric Acid SCHEMBL28383216 0.86 NQO1 (0.51) NQO1CHEK1MAOACDK4CCND1
SCHEMBL28153683 0.86 NQO1 (0.51) NQO1CHEK1MAOACDK4CCND1
SCHEMBL11523161 0.86 NQO1 (0.51) NQO1CHEK1MAOACDK4CCND1
SCHEMBL3387676 0.86 NQO1 (0.54) NQO1CHEK1CDK4CCND1HTT
SCHEMBL11150561 0.83 NQO1 (0.53) NQO1CHEK1MAOACDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513822-B1 LYOTROPIC LIQUID CRYSTAL SYSTEM AND ANISOTROPIC FILM NITTO DENKO CORP (JP) 2010-12-22 EP disclosed
EP-1513822-A4 SULFODERIVATIVES OF INDANTHRONE, LYOTROPIC LIQUID CRYSTAL SYSTEM AND ANISOTROPIC FILM ON THEIR BASE NITTO DENKO CORP (JP) 2008-10-08 EP disclosed
US-6962734-B2 Sulfoderivatives of indanthrone, lyotropic liquid crystal system and anisotropic film on their base NITTO DENKO CORPORATION (JP) 2005-11-08 US disclosed
US-20050129878-A1 SULFODERIVATIVES OF INDANTHRONE, LYOTROPIC LIQUID CRYSTAL SYSTEM AND ANISOTROPIC FILM ON THEIR BASE OPTVIA, INC. 2005-06-16 US disclosed
EP-1513822-A2 SULFODERIVATIVES OF INDANTHRONE, LYOTROPIC LIQUID CRYSTAL SYSTEM AND ANISOTROPIC FILM ON THEIR BASE Optiva, Inc. (US) 2005-03-16 EP disclosed
US-20030232153-A1 Sulfoderivatives of indanthrone, lyotropic liquid crystal system and anisotropic film on their base INSOLVENCY SERVICES GROUP, INC. 2003-12-18 US disclosed
WO-2003104242-A2 SULFODERIVATIVES OF INDANTHRONE, LYOTROPIC LIQUID CRYSTAL SYSTEM AND ANISOTROPIC FILM ON THEIR BASE OPTIVA, INC. (US) 2003-12-18 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 (2 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-20030232153-A1 Sulfoderivatives of indanthrone, lyotropic liquid crystal system and anisotropic film on their base KCNH3, KCNH2, CCNH NQO1 3133/4885CHEK1 1421/4885MAOA 3307/4885
US-20050129878-A1 SULFODERIVATIVES OF INDANTHRONE, LYOTROPIC LIQUID CRYSTAL SYSTEM AND ANISOTROPIC FILM ON THEIR BASE LPAR3, IPO5, SLC6A5 NQO1 4000/4885CHEK1 2567/4885MAOA 1549/4885

“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.