SCHEMBL17779338

SCHEMBL17779338

CSCCNc1ccc(N)c(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
SYK P43405 1/20 0.39
BACE1 P56817 1/20 0.37
MAPK8 P45983 1/20 0.36
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HDAC3 O15379 1/20 0.34
BRAF P15056 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL17779337 0.92 BACE1 (0.45) IKBKBSYKBACE1MAPK8KDM4E
SCHEMBL17774906 0.83 ALDH1A1 (0.47) IKBKBSYKMAPK8KDM4EMAPT
SCHEMBL17774900 0.81 F2R (0.44) IKBKBSYKBACE1KDM4EMAPT
SCHEMBL17779229 0.80 IKBKB (0.45) IKBKBSYKMAPK8KDM4EMAPT
SCHEMBL17779289 0.77 JAK2 (0.40) IKBKBSYKBACE1MAPK8KDM4E
SCHEMBL17779288 0.77 ALDH1A1 (0.50) IKBKBSYKKDM4EALDH1A1HPGD
SCHEMBL17779287 0.77 SYK (0.51) IKBKBSYKKDM4EALDH1A1RAB9A
SCHEMBL17779286 0.75 HPGD (0.40) BACE1KDM4EALDH1A1HPGDMEN1
SCHEMBL17774946 0.74 IKBKB (0.49) IKBKBKDM4EMAPTALDH1A1HPGD
SCHEMBL6069330 0.72 IKBKB (0.50) IKBKBKDM4EMAPTALDH1A1HPGD

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 3089/4885SYK 1957/4885BACE1 2488/4885

“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.