Sugi Predict

Sugi Predict / Compounds / SCHEMBL4602853

SCHEMBL4602853

SCHEMBL4602853

C=C1N(C)c2cc(OC)c(N)cc2C1(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.56
▸ MPI P34949 1/20 0.56
▸ S100B P04271 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ CHEK1 O14757 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ APP P05067 1/20 0.31
▸ EP300 Q09472 1/20 0.31

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
SCHEMBL4602903 0.94 TDP1 (0.52) TDP1MPIS100BALDH1A1CYP3A4
SCHEMBL4604551 0.87 MPI (0.47) TDP1MPIALDH1A1MAPT
Acetic Acid SCHEMBL10404992 0.79 MPI (0.44) TDP1MPIALDH1A1CYP3A4TSHR
SCHEMBL5464264 0.77 MPI (0.56) TDP1MPIHTTMEN1MAPT
SCHEMBL9750009 0.72 CHRNA7 (0.46) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL4602650 0.71 TDP1 (0.41) TDP1MPIALDH1A1TSHRHSD17B10
SCHEMBL3819871 0.71 MAPT (0.43) TDP1MPIALDH1A1POLBMEN1
SCHEMBL4603246 0.71 MEN1 (0.42) TDP1MPIALDH1A1GAAMEN1
SCHEMBL6092178 0.71 MPI (0.50) TDP1MPIHTTMEN1MAPT
SCHEMBL23591023 0.71 MPI (0.51) TDP1MPI

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194633-B1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AG (DE) 2008-04-30 — — EP claimed
EP-1341503-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-02-13 — — EP claimed
EP-1227786-B1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AG (DE) 2005-08-24 — — EP claimed
US-6835212-B2 Compound with a nucleophilic reaction center, aryl alcohol or benzyl alcohol derivatives and an oxidizing enzyme WELLA AKTIENGESELLSCHAFT (DE) 2004-12-28 — — US claimed
EP-1194118-B1 AGENT FOR COLORING FIBERS WELLA AG (DE) 2004-09-15 — — EP claimed
US-6740128-B2 BLEND CONTAINING ENAMINE AND ALKALINE MIXTURE OF ALDEHYDE AND PRIMARY AMINE WELLA AKTIENGESELLSCHAFT (DE) 2004-05-25 — — US claimed
US-6669739-B2 Agent for coloring fibers and method for temporarily coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-12-30 — — US claimed
US-6652601-B2 For dyeing and subsequently decolorizing fibers such as keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-11-25 — — US claimed
EP-1341503-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-09-10 — — EP claimed
US-20030101520-A1 Agent for coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-05 — — US claimed
US-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-05-01 — — US claimed
US-20030041391-A1 Agent and method for dyeing keratin fibres Wella GmbH (DE) 2003-03-06 — — US claimed
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-11-21 — — US claimed
EP-1227786-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE Wella Aktiengesellschaft (DE) 2002-08-07 — — EP claimed
WO-2002047633-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-06-20 — — WO claimed
EP-1194118-A1 AGENT FOR COLORING FIBERS Wella Aktiengesellschaft (DE) 2002-04-10 — — EP claimed
WO-2001085111-A1 AGENT FOR COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 — — WO claimed
WO-2001062219-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AKTIENGESELLSCHAFT (DE) 2001-08-30 — — WO claimed
EP-1194633-B1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AG (DE) 2008-04-30 — — EP disclosed
WO-2001062219-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AKTIENGESELLSCHAFT (DE) 2001-08-30 — — 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 (4 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-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative IDO1, IDO2, KIT TDP1 668/4885MPI 1286/4885S100B 418/4885
US-20030101520-A1 Agent for coloring fibers COL1A1, ENO1, H1-5 TDP1 1413/4885MPI 3838/4885S100B 181/4885
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers ENO1, H1-5, H1-2 TDP1 1125/4885MPI 2220/4885S100B 329/4885
US-20030041391-A1 Agent and method for dyeing keratin fibres KRT18, AKR7A2, ADH5 TDP1 1852/4885MPI 1902/4885S100B 383/4885

“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.