SCHEMBL17779337

SCHEMBL17779337

CSCCCNc1ccc(N)c(C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
SYK P43405 1/20 0.38
IKBKB O14920 1/20 0.38
EGFR P00533 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
MAPK8 P45983 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSP90AA1 P07900 1/20 0.34
PRSS1 P07477 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NAMPT P43490 1/20 0.33
JAK2 O60674 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
SCHEMBL17779338 0.92 IKBKB (0.40) BACE1SYKIKBKBMAPK8ALDH1A1
SCHEMBL17774900 0.84 F2R (0.44) BACE1SYKIKBKBKDM4EMEN1
SCHEMBL17774906 0.81 ALDH1A1 (0.47) SYKIKBKBMAPK8ALDH1A1KDM4E
SCHEMBL17779287 0.81 SYK (0.51) SYKIKBKBALDH1A1KDM4ERAB9A
SCHEMBL17779289 0.81 JAK2 (0.40) BACE1SYKIKBKBEGFRMAPK8
SCHEMBL17779286 0.78 HPGD (0.40) BACE1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17779229 0.77 IKBKB (0.45) SYKIKBKBMAPK8ALDH1A1KDM4E
SCHEMBL17779288 0.75 ALDH1A1 (0.50) SYKIKBKBALDH1A1KDM4EHPGD
SCHEMBL11124279 0.73 KCNH3 (0.50) BACE1EGFRKCNH3ALDH1A1PRSS1
SCHEMBL17774946 0.72 IKBKB (0.49) IKBKBALDH1A1KDM4EMEN1KMT2A

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 BACE1 2488/4885SYK 1957/4885IKBKB 3089/4885

“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.