SCHEMBL17779284

SCHEMBL17779284

COCCCN(CCOC)c1ccc(N)c(C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.36
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL17779285 0.95 IKBKB (0.40) IKBKBF2PRSS1PRSS2PRSS3
SCHEMBL17774926 0.92 MAPT (0.36) IKBKBMAPTALDH1A1GAAHPGD
SCHEMBL17774932 0.90 CRHR1 (0.38) IKBKBMAPTALDH1A1GAAHPGD
SCHEMBL17774933 0.85 IKBKB (0.37) IKBKBMAPTALDH1A1GAAHPGD
SCHEMBL17774976 0.82 IKBKB (0.39) IKBKBMAPTALDH1A1GAAHPGD
SCHEMBL17774935 0.79 IKBKB (0.42) IKBKBMAPTALDH1A1GAAHPGD
SCHEMBL17774924 0.77 IKBKB (0.44) IKBKBMAPTALDH1A1GAAHPGD
SCHEMBL17779275 0.77 IKBKB (0.35) IKBKBMAPTALDH1A1GAAHPGD
SCHEMBL17779273 0.76 IKBKB (0.34) IKBKBMAPTALDH1A1GAAHPGD
SCHEMBL17774966 0.75 S100B (0.56) IKBKBMAPTALDH1A1GAAHPGD

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 2 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-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 3089/4885F2 297/4885PRSS1 753/4885

“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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