SCHEMBL5951820

SCHEMBL5951820

Cc1cc(C(N)=O)c(N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
IKBKB O14920 1/20 0.38
MAP2K2 P36507 4/20 0.36
MAP2K1 Q02750 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
SIRT3 Q9NTG7 1/20 0.36
NNMT P40261 2/20 0.36
BRD4 O60885 1/20 0.36
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KEAP1 Q14145 1/20 0.33

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
SCHEMBL23618692 0.84 DGAT1 (0.48) DGAT1IKBKBMAP2K2MAP2K1TDP1
SCHEMBL3530679 0.84 KEAP1 (0.50) TDP1MAPTKDM4EMEN1KMT2A
SCHEMBL1203088 0.83 DGAT1 (0.45) DGAT1IKBKBMAP2K2MAP2K1MAPT
SCHEMBL31413282 0.83 MAPK1 (0.46) IKBKBTDP1SIRT3NNMTBRD4
SCHEMBL5951698 0.83 MAPK1 (0.46) IKBKBTDP1SIRT3NNMTBRD4
SCHEMBL17774979 0.81 DGAT1 (0.44) DGAT1IKBKBMAP2K2MAP2K1BRD4
SCHEMBL13885293 0.81 NNMT (0.43) IKBKBTDP1SIRT3NNMTBRD4
SCHEMBL23813891 0.79 ALDH1A1 (0.41) MAPTL3MBTL1KDM4ELMNAHTT
SCHEMBL31473552 0.79 GAA (0.46) IKBKBMAP2K2MAP2K1HDAC1HDAC6
SCHEMBL376859 0.79 KDM4E (0.56) IKBKBMAPTKDM4E

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 8 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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO 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 (3 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 DGAT1 4531/4885IKBKB 101/4885MAP2K2 178/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A DGAT1 4380/4885IKBKB 173/4885MAP2K2 262/4885
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 DGAT1 849/4885IKBKB 3089/4885MAP2K2 2641/4885

“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.