SCHEMBL394416

SCHEMBL394416

Cc1cc(N)n(-c2ccccc2S(=O)(=O)O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.56
RXFP1 Q9HBX9 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
APEX1 P27695 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPK1 P28482 1/20 0.51
MYC P01106 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 2/20 0.41
F10 P00742 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL13456831 0.83 POLB (0.48) POLBRXFP1MEN1KMT2AAPEX1
SCHEMBL11689516 0.79 POLB (0.43) POLBRXFP1MEN1KMT2AAPEX1
SCHEMBL11691653 0.79 ALDH1A1 (0.42) POLBRXFP1MEN1KMT2AAPEX1
SCHEMBL13070940 0.78 MYC (0.49) POLBRXFP1MEN1KMT2AAPEX1
SCHEMBL14451216 0.78 ALDH1A1 (0.47) POLBRXFP1MEN1KMT2AAPEX1
SCHEMBL11511318 0.77 POLB (0.46) POLBRXFP1MEN1KMT2AAPEX1
SCHEMBL11687685 0.77 CYP1A2 (0.40) POLBRXFP1MEN1KMT2AAPEX1
SCHEMBL1143383 0.76 CYP1A2 (0.62) POLBMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL31457163 0.75 CYP1A2 (0.57) POLBRXFP1MEN1KMT2AAPEX1
SCHEMBL1814517 0.75 CYP1A2 (0.57) POLBRXFP1MEN1KMT2AAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4759702-B2 2011-08-31 JP claimed
US-7723494-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US claimed
US-20080114158-A1 Yellow anionic disazo dyes LENNARTZ MICHAEL 2008-05-15 US claimed
US-20050172420-A1 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORP. 2005-08-11 US claimed
EP-1509574-A1 YELLOW ANIONIC DISAZO DYES Ciba SC Holding AG (CH) 2005-03-02 EP claimed
WO-2003104333-A1 YELLOW ANIONIC DISAZO DYES CIBA SPECIALTY CHEMICALS HOLDING, INC. (CH) 2003-12-18 WO claimed
US-8101731-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION 2012-01-24 US disclosed
US-20100199443-A1 YELLO ANIONIC DISAZO DYES LENNARTZ MICHAEL 2010-08-12 US disclosed
US-7723494-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-20080114158-A1 Yellow anionic disazo dyes LENNARTZ MICHAEL 2008-05-15 US disclosed
US-7341607-B2 Based on diaminobenzanilides or, more specifically (aminobenzoylamino),(sulfo-),(methoxy)anilines; stable aqueous solutions;nonbleeding/colorfastness; excellent degrees of exhaustion with high colour strength; dyeing natural or synthetic materials, particularly, paper; neutral or greenish-yellow hues CIBA SPECIALTY CHEMICALS CORP. (US) 2008-03-11 US disclosed
US-20050172420-A1 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORP. 2005-08-11 US disclosed
EP-1509574-A1 YELLOW ANIONIC DISAZO DYES Ciba SC Holding AG (CH) 2005-03-02 EP disclosed
WO-2003104333-A1 YELLOW ANIONIC DISAZO DYES CIBA SPECIALTY CHEMICALS HOLDING, INC. (CH) 2003-12-18 WO disclosed
US-4180503-A FOR DYEING POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-12-25 US disclosed
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 US 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-20050172420-A1 Yellow anionic disazo dyes IK, CYB5R3, DCXR POLB 2970/4885RXFP1 3599/4885MEN1 3799/4885

“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.