SCHEMBL17774923

SCHEMBL17774923

COCC(O)CN(C)c1ccc(N)c(C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ HPGD P15428 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ABCB1 P08183 5/20 0.32
▸ MEN1 O00255 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
SCHEMBL17774945 0.84 IKBKB (0.41) IKBKBHTTHPGDALDH1A1MAPT
SCHEMBL17774976 0.81 IKBKB (0.39) IKBKBHTTHPGDALDH1A1MAPT
SCHEMBL17774933 0.79 IKBKB (0.37) IKBKBHPGDALDH1A1MAPTHSD17B10
SCHEMBL17774922 0.79 HTT (0.37) IKBKBHTTHPGDALDH1A1MAPT
SCHEMBL17774956 0.76 IKBKB (0.41) IKBKBHPGDALDH1A1MAPTHSD17B10
SCHEMBL17774950 0.76 IKBKB (0.44) IKBKBHPGDALDH1A1MAPTHSD17B10
SCHEMBL17779285 0.74 IKBKB (0.40) IKBKBHTTHPGDALDH1A1MAPT
SCHEMBL17779281 0.74 MAPT (0.47) IKBKBHPGDALDH1A1MAPTHSD17B10
SCHEMBL17774928 0.74 IKBKB (0.41) IKBKBHPGDALDH1A1MAPTHSD17B10
SCHEMBL17774944 0.74 IKBKB (0.41) IKBKBHPGDALDH1A1MAPTHSD17B10

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 3089/4885HTT 4143/4885HPGD 588/4885

“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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