SCHEMBL17774919

SCHEMBL17774919

CC(C)N(CCO)c1ccc(N)c(C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.39
▸ GRK6 P43250 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ MLYCD O95822 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ RCE1 Q9Y256 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL17774971 0.92 IKBKB (0.37) IKBKBGRK6HTTALDH1A1MAPT
SCHEMBL17774938 0.89 IKBKB (0.39) IKBKBGRK6HTTMLYCDALDH1A1
SCHEMBL17779232 0.87 HTT (0.40) IKBKBGRK6HTTALDH1A1MAPT
SCHEMBL17774970 0.86 IKBKB (0.37) IKBKBALDH1A1MAPTHPGDGAA
SCHEMBL17774977 0.85 IGLV6-57 (0.41) IKBKBGRK6HTTALDH1A1MAPT
SCHEMBL17774967 0.84 IKBKB (0.40) IKBKBGRK6HTTALDH1A1MAPT
SCHEMBL17774944 0.81 IKBKB (0.41) IKBKBALDH1A1MAPTHPGDGAA
SCHEMBL17774940 0.80 IKBKB (0.44) IKBKBGRK6HTTALDH1A1MAPT
SCHEMBL17774924 0.80 IKBKB (0.44) IKBKBHTTALDH1A1MAPTHPGD
SCHEMBL17774929 0.78 S100B (0.45) IKBKBHTTALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 — — US disclosed
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 — — US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 — — US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 — — 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR IKBKB 3089/4885GRK6 3811/4885HTT 4143/4885

“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.

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