SCHEMBL13834992

SCHEMBL13834992

O=C(C1CC1)N1CC[C@@H](CNc2ncccc2[N+](=O)[O-])C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
LMNA P02545 2/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
ELANE P08246 1/20 0.43
PKM P14618 1/20 0.42
FASN P49327 5/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
GRIN2B Q13224 2/20 0.41
F10 P00742 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2009586 0.83 ELANE (0.50) LMNAMAPTELANEFASNALDH1A1
SCHEMBL13834409 0.83 DPP4 (0.46) DPP4DPP7LMNANPC1PKM
SCHEMBL6065 0.83 HTT (0.45) LMNAMAPTALDH1A1F10KDM4E
SCHEMBL6067 0.83 HTT (0.45) LMNAMAPTALDH1A1F10KDM4E
SCHEMBL13834797 0.82 PRKCQ (0.39) ALDH1A1SMN1; SMN2F10
SCHEMBL13835056 0.82 HSD11B1 (0.44) MAPTALDH1A1F10
SCHEMBL13834609 0.80 TXNRD1 (0.48) FASNALDH1A1F10
SCHEMBL13834569 0.80 MEN1 (0.45) MAPTRAB9AFASNALDH1A1F10
SCHEMBL2014265 0.80 MEN1 (0.45) MAPTRAB9AFASNALDH1A1F10
SCHEMBL927386 0.79 NPC1 (0.57) DPP4DPP7LMNAMAPTNPC1

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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY DPP4 1831/4885DPP7 2106/4885LMNA 3267/4885

“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.