SCHEMBL17779277

SCHEMBL17779277

COc1cc(N)c(C(=O)N2CCOCC2)cc1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SLC6A5 Q9Y345 2/20 0.47
KMT2A Q03164 3/20 0.47
AKR1C3 P42330 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PRKCZ Q05513 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SLC6A9 P48067 1/20 0.43
KIT P10721 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL17779282 0.94 POLB (0.48) KDM4EALDH1A1SLC6A5KMT2AAKR1C3
SCHEMBL17779231 0.85 MEN1 (0.56) KDM4EALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL17779290 0.84 KMT2A (0.55) KDM4EALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL12792637 0.84 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AGLAPOLB
SCHEMBL17774962 0.83 HTT (0.50) KDM4EALDH1A1SLC6A5KMT2AAKR1C3
SCHEMBL15650915 0.81 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AGLAPOLB
SCHEMBL17076737 0.79 ALDH1A1 (0.58) KDM4EALDH1A1KMT2AGLAPOLB
SCHEMBL15651833 0.79 KDM4E (0.58) KDM4EALDH1A1KMT2AGLAPOLB
SCHEMBL1911908 0.79 LGMN (0.46) KDM4EALDH1A1AKR1C3SMN1; SMN2GAA
SCHEMBL15650406 0.78 KDM4E (0.57) KDM4EALDH1A1GLAGAATSHR

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 KDM4E 1417/4885ALDH1A1 440/4885SLC6A5 2065/4885

“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.