SCHEMBL5951849

SCHEMBL5951849

CCOc1cc([N+](=O)[O-])c(NC(C)=O)cc1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.52
POLB P06746 4/20 0.52
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GALR2 O43603 1/20 0.52
MITF O75030 1/20 0.52
LMNA P02545 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HPGD P15428 1/20 0.52
XBP1 P17861 1/20 0.52
CCR6 P51684 1/20 0.52
GAA P10253 1/20 0.46
MAPT P10636 5/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 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
SCHEMBL5951870 0.88 KMT2A (0.51) KMT2ASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL5951632 0.84 KMT2A (0.55) KMT2ASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL9793657 0.82 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL9721603 0.81 ALDH1A1 (0.58) KMT2ASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL13373987 0.78 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL3266352 0.78 LMNA (0.55) KMT2ASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL2535876 0.78 ALDH1A1 (0.55) KMT2ASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL2543395 0.78 ALDH1A1 (0.52) KMT2ASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL2551752 0.77 KMT2A (0.54) KMT2ASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL9396485 0.77 MAPT (0.52) KMT2ASMN1; SMN2POLBALDH1A1NPSR1

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 7 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-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 KMT2A 1678/4885SMN1; SMN2 4210/4885POLB 2261/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KMT2A 1844/4885SMN1; SMN2 3516/4885POLB 2841/4885

“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.