SCHEMBL6045

SCHEMBL6045

COc1cccc(NC[C@@H]2CCN(C(=O)C3CC3)C2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
TGFBR1 P36897 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK14 Q16539 1/20 0.37
MGLL Q99685 1/20 0.37
PTGER4 P35408 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6047 1.00 ALDH1A1 (0.42) ALDH1A1ACHEBACE1MEN1KMT2A
SCHEMBL11909035 0.90 ACHE (0.45) ALDH1A1ACHEBACE1MEN1KMT2A
SCHEMBL11909039 0.90 ACHE (0.45) ALDH1A1ACHEBACE1MEN1KMT2A
SCHEMBL6773 0.88 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL6775 0.88 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL11909767 0.86 PTGER4 (0.45) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL5643 0.83 SCD (0.42) ALDH1A1LMNAHTTMAPTCYP2C9
SCHEMBL5641 0.83 SCD (0.42) ALDH1A1LMNAHTTMAPTCYP2C9
SCHEMBL6436 0.83 ATM (0.37) ALDH1A1KMT2ALMNAHTTPTGER4
SCHEMBL6438 0.83 ATM (0.37) ALDH1A1KMT2ALMNAHTTPTGER4

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 274/4885ACHE 4129/4885BACE1 3212/4885

“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.