SCHEMBL17779228

SCHEMBL17779228

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.38
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPT P10636 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC6A3 Q01959 2/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL17774948 0.89 IKBKB (0.40) IKBKBHTTHSD17B10MAPTMEN1
SCHEMBL17774922 0.82 HTT (0.37) IKBKBHTTHSD17B10MAPTMEN1
SCHEMBL17774940 0.82 IKBKB (0.44) IKBKBHTTHSD17B10MAPTMEN1
SCHEMBL17774969 0.80 IKBKB (0.37) IKBKBHTTHSD17B10MAPTMEN1
SCHEMBL17774938 0.79 IKBKB (0.39) IKBKBHTTHSD17B10MAPTMEN1
SCHEMBL17774977 0.78 IGLV6-57 (0.41) IKBKBHTTHSD17B10MAPTMEN1
SCHEMBL17774956 0.77 IKBKB (0.41) IKBKBHSD17B10MAPTMEN1KMT2A
SCHEMBL17774950 0.76 IKBKB (0.44) IKBKBHSD17B10MAPTMEN1KMT2A
SCHEMBL7675158 0.75 IKBKB (0.49) IKBKBHSD17B10MAPTMEN1KMT2A
SCHEMBL17774974 0.75 IKBKB (0.38) IKBKBHSD17B10MAPTMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4143/4885HSD17B10 529/4885

“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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