SCHEMBL7209

SCHEMBL7209

O=C(C1CC1)N1CCC(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.45
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
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 5/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC2A1 P11166 1/20 0.43
LIPC P11150 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SERPINE1 P05121 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
SCHEMBL7207 1.00 STAT3 (0.45) STAT3AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL6280 0.92 STAT3 (0.54) STAT3AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL6282 0.92 STAT3 (0.54) STAT3AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL11909231 0.90 AKR1B1 (0.48) STAT3AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL11909232 0.90 AKR1B1 (0.48) STAT3AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL6123 0.87 NPY5R (0.42) MAPTCYP2C9CYP2C19MAPK1CYP1A2
SCHEMBL6121 0.87 NPY5R (0.42) MAPTCYP2C9CYP2C19MAPK1CYP1A2
SCHEMBL6903 0.85 KAT2B (0.43) MEN1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL6905 0.85 KAT2B (0.43) MEN1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL10319 0.84 LIPC (0.46) KMT2ALIPCLIPGEPHX2POLB

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 STAT3 1034/4885AKR1B1 432/4885AKR1C4 767/4885

“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.