SCHEMBL6856397

SCHEMBL6856397

N[C@@H](Cc1c[nH]cn1)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.42
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TPH1 P17752 1/20 0.36
CYP1A2 P05177 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.35
SLC7A5 Q01650 1/20 0.35

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
SCHEMBL9242008 0.86 NLN (0.41) NAMPTRAB9ACYP1A2NPC1
SCHEMBL27913327 0.84 CYP3A4 (0.33) CYP1A2SLC7A5
SCHEMBL23572977 0.82 LTA4H (0.47)
SCHEMBL21794922 0.82 LTA4H (0.47)
SCHEMBL23572978 0.82 LTA4H (0.47)
Hippuric Acid SCHEMBL29157716 0.81 KDM4E (0.42) CYP1A2PKMSLC7A5
SCHEMBL29616794 0.80 CSK (0.33)
SCHEMBL2445252 0.80 EGFR (0.50) ALDH1A1
SCHEMBL23572993 0.80 EGFR (0.50) ALDH1A1
SCHEMBL6115780 0.79 POLB (0.32) ALDH1A1SMN1; SMN2RAB9ACYP1A2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999024461-A1 CLOSTRIDIAL TOXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-05-20 WO claimed
US-9448231-B2 Application of quantum dots for nuclear staining VENTANA MEDICAL SYSTEMS, INC. (US) 2016-09-20 US disclosed
US-20120219948-A1 APPLICATION OF QUANTUM DOTS FOR NUCLEAR STAINING VENTANA MEDICAL SYSTEMS, INC. 2012-08-30 US disclosed
US-20040067492-A1 Reverse transcription on microarrays MERGEN LIMITED 2004-04-08 US disclosed
WO-1999024461-A1 CLOSTRIDIAL TOXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-05-20 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-20120219948-A1 APPLICATION OF QUANTUM DOTS FOR NUCLEAR STAINING DNASE1, DNASE1L3, MKI67 NAMPT 2408/4885ALDH1A1 3765/4885SMN1; SMN2 3075/4885

“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.