SCHEMBL17774936

SCHEMBL17774936

CN(Cc1ccoc1)c1ccc(N)c(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.47
▸ HCAR3 P49019 1/20 0.36
▸ SLC16A3 O15427 1/20 0.36
▸ SLC16A1 P53985 1/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ GPR52 Q9Y2T5 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ CHRM2 P08172 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ F2 P00734 3/20 0.32
▸ PARP1 P09874 1/20 0.32

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
SCHEMBL17774950 0.76 IKBKB (0.44) IKBKBKDM4EALDH1A1GAAMAPT
SCHEMBL17774945 0.75 IKBKB (0.41) IKBKBPARP1KDM4EALDH1A1GAA
SCHEMBL17774920 0.74 TSHR (0.42) IKBKBALDH1A1GAAMAPTHPGD
SCHEMBL6297735 0.74 ALOX5 (0.44) ALOX5HCAR3TRPM8CHRM2CHRM1
SCHEMBL17774944 0.74 IKBKB (0.41) IKBKBKDM4EALDH1A1GAAMAPT
SCHEMBL17774928 0.74 IKBKB (0.41) IKBKBHDAC2KDM4EALDH1A1GAA
SCHEMBL17774956 0.74 IKBKB (0.41) HCAR3IKBKBCHRM2HDAC3HDAC1
SCHEMBL7675158 0.72 IKBKB (0.49) SLC16A3IKBKBHDAC1PARP1KDM4E
SCHEMBL17779281 0.71 MAPT (0.47) IKBKBCHRM2KDM4EALDH1A1GAA
SCHEMBL17774915 0.71 PDK1 (0.41) IKBKBHIF1AKDM4EALDH1A1MAPT

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 4 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-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
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 ALOX5 195/4885HCAR3 3519/4885SLC16A3 3191/4885

“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.

Send feedback