SCHEMBL5161441

SCHEMBL5161441

O=C1C=CC(=NOS(=O)(=O)c2ccccc2)C=C1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.70
ALDH1A1 P00352 9/20 0.70
NPSR1 Q6W5P4 7/20 0.70
MPI P34949 6/20 0.70
KDM4E B2RXH2 6/20 0.70
XBP1 P17861 5/20 0.70
LMNA P02545 5/20 0.70
MAPK1 P28482 5/20 0.70
HTT P42858 4/20 0.70
S1PR2 O95136 3/20 0.70
PKM P14618 3/20 0.70
TDP1 Q9NUW8 3/20 0.70
TP53 P04637 1/20 0.70
THRB P10828 1/20 0.70
ALOX12 P18054 1/20 0.70
RECQL P46063 1/20 0.70
APOBEC3G Q9HC16 1/20 0.70
RAB9A P51151 5/20 0.52
HSP90AA1 P07900 5/20 0.49
OPRM1 P35372 1/20 0.49

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
SCHEMBL5160851 0.82 MAPT (0.70) MAPTALDH1A1NPSR1MPIKDM4E
SCHEMBL5163513 0.82 MAPT (0.70) MAPTALDH1A1NPSR1MPIKDM4E
SCHEMBL5160298 0.82 MAPT (1.00) MAPTALDH1A1NPSR1MPIKDM4E
SCHEMBL31372745 0.81 MAPT (0.68) MAPTALDH1A1NPSR1MPIKDM4E
SCHEMBL2047654 0.81 MAPT (0.66) MAPTALDH1A1NPSR1MPIKDM4E
SCHEMBL5161990 0.80 MAPT (0.71) MAPTALDH1A1NPSR1MPIKDM4E
SCHEMBL5160646 0.79 MAPT (0.65) MAPTALDH1A1NPSR1MPIKDM4E
SCHEMBL5160459 0.79 MAPT (0.65) MAPTALDH1A1NPSR1MPIKDM4E
SCHEMBL5163602 0.78 MAPT (0.63) MAPTALDH1A1NPSR1MPIKDM4E
SCHEMBL5165378 0.77 MAPT (0.66) MAPTALDH1A1NPSR1MPIKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399114-B1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AG (DE) 2007-03-28 EP claimed
US-7056349-B2 Agent containing quinonimine derivatives and used to color keratin fibres, and associated method WELLA AG (DE) 2006-06-06 US claimed
US-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-02 US claimed
EP-1399114-B1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AG (DE) 2007-03-28 EP disclosed
US-7056349-B2 Agent containing quinonimine derivatives and used to color keratin fibres, and associated method WELLA AG (DE) 2006-06-06 US disclosed
EP-1399114-A1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD Wella Aktiengesellschaft (DE) 2004-03-24 EP disclosed
US-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-02 US disclosed
WO-2002102336-A1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AKTIENGESELLSCHAFT (DE) 2002-12-27 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 (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-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method KRT18, MKI67, F12 MAPT 661/4885ALDH1A1 380/4885NPSR1 2334/4885

“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.