SCHEMBL5746

SCHEMBL5746

COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCN(C(=O)C3CC3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
DCTPP1 Q9H773 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
RECQL P46063 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 5/20 0.43
TRPV1 Q8NER1 1/20 0.42
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
MTNR1B P49286 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41

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
SCHEMBL5748 1.00 ALDH1A1 (0.48) ALDH1A1DCTPP1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL7661 0.92 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2AKR1C3AKR1C2RECQL
SCHEMBL7663 0.92 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2AKR1C3AKR1C2RECQL
SCHEMBL11908828 0.90 AKR1C3 (0.48) ALDH1A1DCTPP1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL11908831 0.90 AKR1C3 (0.48) ALDH1A1DCTPP1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL6903 0.87 KAT2B (0.43) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL6905 0.87 KAT2B (0.43) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL6123 0.85 NPY5R (0.42) ALDH1A1LMNAMAPTMAPK1HTR6
SCHEMBL6121 0.85 NPY5R (0.42) ALDH1A1LMNAMAPTMAPK1HTR6
SCHEMBL10293 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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 (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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 ALDH1A1 274/4885DCTPP1 1214/4885SMN1; SMN2 4608/4885

“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.