SCHEMBL17779278

SCHEMBL17779278

N#CCN(CC#N)c1ccc(N)c(C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.41
▸ KMT2A Q03164 6/20 0.35
▸ MAPT P10636 6/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ CDC25B P30305 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ S100B P04271 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ POLB P06746 2/20 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
SCHEMBL17774966 0.79 S100B (0.56) IKBKBKMT2AMAPTMEN1ALDH1A1
SCHEMBL17774924 0.78 IKBKB (0.44) IKBKBKMT2AMAPTMEN1ALDH1A1
SCHEMBL17774921 0.77 SLC16A3 (0.39) IKBKBKMT2AMAPTMEN1ALDH1A1
SCHEMBL17779335 0.76 HTT (0.35) IKBKBKMT2AMAPTMEN1ALDH1A1
SCHEMBL17774935 0.76 IKBKB (0.42) IKBKBKMT2AMAPTMEN1ALDH1A1
SCHEMBL17774952 0.74 S100B (0.46) IKBKBKMT2AMAPTMEN1ALDH1A1
SCHEMBL7675158 0.73 IKBKB (0.49) IKBKBKMT2AMAPTMEN1ALDH1A1
SCHEMBL17779285 0.73 IKBKB (0.40) IKBKBKMT2AMAPTMEN1ALDH1A1
SCHEMBL17774929 0.73 S100B (0.45) IKBKBKMT2AMAPTMEN1ALDH1A1
SCHEMBL17774973 0.72 IKBKB (0.39) IKBKBKMT2AMAPTMEN1ALDH1A1

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 3089/4885KMT2A 1157/4885MAPT 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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