SCHEMBL5952677

SCHEMBL5952677

O=C(/C=N\O)Nc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
CYP1A2 P05177 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MMP1 P03956 4/20 0.57
MMP2 P08253 4/20 0.57
MMP9 P14780 4/20 0.57
TSHR P16473 1/20 0.57
TP53 P04637 2/20 0.55
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 3/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MAOB P27338 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ACHE P22303 1/20 0.49

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
SCHEMBL5952682 1.00 MEN1 (0.65) MEN1KMT2ACYP1A2NPSR1MMP1
SCHEMBL14135715 1.00 MEN1 (0.65) MEN1KMT2ACYP1A2NPSR1MMP1
SCHEMBL23367403 0.84 MEN1 (0.49) MEN1KMT2ACYP1A2NPSR1MMP1
SCHEMBL1398153 0.82 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TP53
SCHEMBL9289784 0.82 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TP53
SCHEMBL1398151 0.82 MEN1 (0.68) MEN1KMT2ACYP1A2NPSR1TP53
SCHEMBL4997889 0.80 CYP1A2 (0.64) MEN1KMT2ACYP1A2NPSR1MMP1
SCHEMBL7368786 0.80 CYP1A2 (0.64) MEN1KMT2ACYP1A2NPSR1TP53
SCHEMBL4997896 0.80 CYP1A2 (0.64) MEN1KMT2ACYP1A2NPSR1MMP1
SCHEMBL8572562 0.80 CYP1A2 (0.64) MEN1KMT2ACYP1A2NPSR1TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 MEN1 2639/4885KMT2A 1678/4885CYP1A2 354/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MEN1 1460/4885KMT2A 1844/4885CYP1A2 283/4885

“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.