SCHEMBL17774938

SCHEMBL17774938

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.39
▸ MEN1 O00255 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GRK6 P43250 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ADRA2A P08913 1/20 0.32

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
SCHEMBL17774969 0.89 IKBKB (0.37) IKBKBMEN1MAPTKMT2AALDH1A1
SCHEMBL17774919 0.89 IKBKB (0.39) IKBKBMEN1MAPTKMT2AALDH1A1
SCHEMBL17774977 0.88 IGLV6-57 (0.41) IKBKBMEN1MAPTKMT2AALDH1A1
SCHEMBL17779232 0.87 HTT (0.40) IKBKBMEN1MAPTKMT2AALDH1A1
SCHEMBL17774974 0.87 IKBKB (0.38) IKBKBMEN1MAPTKMT2AALDH1A1
SCHEMBL17774971 0.86 IKBKB (0.37) IKBKBMAPTALDH1A1HPGDGAA
SCHEMBL17774967 0.84 IKBKB (0.40) IKBKBMEN1MAPTKMT2AALDH1A1
SCHEMBL17774935 0.82 IKBKB (0.42) IKBKBMEN1MAPTKMT2AALDH1A1
SCHEMBL17774956 0.81 IKBKB (0.41) IKBKBMEN1MAPTKMT2AALDH1A1
SCHEMBL17774940 0.80 IKBKB (0.44) IKBKBMEN1MAPTKMT2AALDH1A1

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 3089/4885MEN1 4240/4885MAPT 2197/4885

“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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