SCHEMBL11909232

SCHEMBL11909232

O=C(O)N1CC[C@@H](CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.48
AKR1C4 P17516 2/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 0.48
LIPC P11150 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
STAT3 P40763 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SERPINE1 P05121 1/20 0.44
SLC2A1 P11166 1/20 0.44
MAPT P10636 5/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL11909231 1.00 AKR1B1 (0.48) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11909530 0.92 STAT3 (0.56) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11909527 0.92 STAT3 (0.56) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7209 0.90 STAT3 (0.45) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7207 0.90 STAT3 (0.45) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11909680 0.86 FAAH (0.44) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11909682 0.86 FAAH (0.44) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11909744 0.84 KAT2B (0.45) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11909741 0.84 KAT2B (0.45) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL11909942 0.84 MAPK1 (0.42) MEN1KMT2AMAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US 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 AKR1B1 432/4885AKR1C4 767/4885AKR1C3 789/4885

“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.