SCHEMBL11909035

SCHEMBL11909035

COc1cccc(NC[C@@H]2CCN(C(=O)O)C2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
BACE1 P56817 2/20 0.45
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK14 Q16539 1/20 0.40
RBP4 P02753 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
TGFBR1 P36897 1/20 0.38
BRD4 O60885 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PTGER4 P35408 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL11909039 1.00 ACHE (0.45) ACHEBACE1ALDH1A1LMNAHTT
SCHEMBL6045 0.90 ALDH1A1 (0.42) ACHEBACE1ALDH1A1LMNAHTT
SCHEMBL6047 0.90 ALDH1A1 (0.42) ACHEBACE1ALDH1A1LMNAHTT
SCHEMBL11909254 0.87 HTT (0.52) ALDH1A1LMNAHTTCYP2C9CYP2C19
SCHEMBL11909250 0.87 HTT (0.52) ALDH1A1LMNAHTTCYP2C9CYP2C19
SCHEMBL11909780 0.85 PTGER4 (0.46) ALDH1A1LMNAHTTRBP4GAA
SCHEMBL11909786 0.85 PTGER4 (0.46) ALDH1A1LMNAHTTRBP4GAA
SCHEMBL11909901 0.82 RBP4 (0.44) ALDH1A1LMNAHTTCYP2C9CYP2C19
SCHEMBL11909904 0.82 RBP4 (0.44) ALDH1A1LMNAHTTCYP2C9CYP2C19
SCHEMBL11909292 0.80 HTT (0.49) ALDH1A1LMNAHTTCYP2C9CYP2C19

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 ACHE 4129/4885BACE1 3212/4885ALDH1A1 274/4885

“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.