SCHEMBL17774952

SCHEMBL17774952

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100B P04271 1/20 0.46
▸ MAPT P10636 5/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ATM Q13315 2/20 0.46
▸ GAA P10253 2/20 0.45
▸ IGLV6-57 P01721 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ ESRRG P62508 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ GFER P55789 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ PSMD14 O00487 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL17774935 0.94 IKBKB (0.42) S100BMAPTMEN1KMT2AALDH1A1
SCHEMBL17774966 0.91 S100B (0.56) S100BMAPTMEN1KMT2AALDH1A1
SCHEMBL17774929 0.90 S100B (0.45) S100BMAPTMEN1KMT2AALDH1A1
SCHEMBL17774973 0.88 IKBKB (0.39) S100BMAPTMEN1KMT2AALDH1A1
SCHEMBL17779227 0.87 IKBKB (0.38) S100BMAPTMEN1KMT2AALDH1A1
SCHEMBL17774932 0.85 CRHR1 (0.38) S100BMAPTMEN1KMT2AALDH1A1
SCHEMBL17774956 0.83 IKBKB (0.41) S100BMAPTMEN1KMT2AALDH1A1
SCHEMBL17774926 0.83 MAPT (0.36) S100BMAPTMEN1KMT2AALDH1A1
SCHEMBL19788667 0.81 MAPT (0.43) S100BMAPTMEN1KMT2AALDH1A1
SCHEMBL17774939 0.81 MAPT (0.43) S100BMAPTMEN1KMT2AALDH1A1

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 S100B 98/4885MAPT 2197/4885MEN1 4240/4885

“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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