SCHEMBL17779271

SCHEMBL17779271

COc1ccc(Nc2ccc(N)c(C(N)=O)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 3/20 0.52
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL31135559 0.79 MAPK9 (0.59) KMT2ALMNAMEN1MAPK8MAPK9
SCHEMBL17774908 0.78 ALDH1A1 (0.50) KMT2ALMNAMEN1CYP1A2MAPT
SCHEMBL4581557 0.76 SYK (0.50) KMT2ALMNAMEN1MAPK8MAPK9
SCHEMBL6154777 0.76 MAPK9 (0.59) KMT2ALMNAMEN1MAPK8MAPK9
SCHEMBL258365 0.75 NOS2 (0.57) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL17774946 0.75 IKBKB (0.49) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL30821626 0.75 NOS2 (0.57) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL348568 0.75 KDM4E (0.69) KMT2ALMNAMEN1CYP1A2CYP2C9
SCHEMBL28909165 0.74 CA2 (0.52) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL13973827 0.74 KMT2A (0.50) KMT2ALMNAMEN1MAPK8MAPK9

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 KMT2A 1157/4885LMNA 319/4885MEN1 4240/4885

“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.