SCHEMBL17779282

SCHEMBL17779282

COc1cc(N)c(C(=O)N2CCOCC2)cc1N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 2/20 0.45
AKR1C3 P42330 1/20 0.44
GLA P06280 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
PRKCZ Q05513 1/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
KIT P10721 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL17779277 0.94 KDM4E (0.50) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL17779290 0.91 KMT2A (0.55) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL17779231 0.90 MEN1 (0.56) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL17774954 0.84 HTT (0.47) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL12792637 0.81 ALDH1A1 (0.52) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL15650915 0.78 ALDH1A1 (0.61) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL17774962 0.77 HTT (0.50) KDM4EALDH1A1KMT2AMEN1AKR1C3
SCHEMBL17076737 0.76 ALDH1A1 (0.58) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL15651833 0.76 KDM4E (0.58) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL12793408 0.76 KMT2A (0.57) POLBKDM4EALDH1A1KMT2AMEN1

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 POLB 288/4885KDM4E 1417/4885ALDH1A1 440/4885

“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.