SCHEMBL17779288

SCHEMBL17779288

CCN(CC)CCNc1ccc(N)c(C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
SYK P43405 1/20 0.46
LMNA P02545 3/20 0.43
SLC22A1 O15245 2/20 0.43
ACHE P22303 2/20 0.43
SLC22A2 O15244 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 2/20 0.42
PMP22 Q01453 1/20 0.42
POLB P06746 2/20 0.40
KCNH2 Q12809 2/20 0.40
CYP1A2 P05177 2/20 0.40
ADRA2A P08913 2/20 0.40
CYP2D6 P10635 2/20 0.40
DRD3 P35462 2/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL17774906 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSYKTSHR
SCHEMBL17774900 0.81 F2R (0.44) KDM4ESYKLMNAACHEMAPK1
SCHEMBL17779287 0.81 SYK (0.51) ALDH1A1KDM4ESYKLMNAACHE
SCHEMBL17779229 0.81 IKBKB (0.45) ALDH1A1KDM4EHPGDSYKTSHR
SCHEMBL29973279 0.78 ALDH1A1 (0.51) ALDH1A1LMNASLC22A1ACHESLC22A2
SCHEMBL17779338 0.77 IKBKB (0.40) ALDH1A1KDM4EHPGDSYKTSHR
SCHEMBL3856906 0.77 LMNA (0.43) ALDH1A1KDM4EHPGDLMNASLC22A1
SCHEMBL17779286 0.76 HPGD (0.40) ALDH1A1KDM4EHPGDL3MBTL1RAB9A
SCHEMBL17779289 0.75 JAK2 (0.40) ALDH1A1KDM4EHPGDSYKLMNA
SCHEMBL17779337 0.75 BACE1 (0.45) ALDH1A1KDM4EHPGDSYKTSHR

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 ALDH1A1 440/4885KDM4E 1417/4885HPGD 588/4885

“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.