SCHEMBL8776059

SCHEMBL8776059

Cc1cc2nc3cc(F)c(O)c(F)c3oc-2cc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 9/20 0.34
CSNK2B P67870 9/20 0.34
CSNK2A1 P68400 9/20 0.34
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SNCA P37840 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL12714377 0.78 APP (0.51) ESR1ESR2CYP1A1CYP1A2CYP1B1
SCHEMBL12952317 0.77 SNCA (0.44) CSNK2A2CSNK2BCSNK2A1ALDH1A1POLB
SCHEMBL14885544 0.71 TERT (0.35) ESR2
SCHEMBL327849 0.69 APP (0.63) CSNK2A2CSNK2BCSNK2A1ALDH1A1POLB
SCHEMBL17696461 0.65 HSD17B3 (0.42) CSNK2A2CSNK2BCSNK2A1ALDH1A1POLB
SCHEMBL12714456 0.64 SNCA (0.47) CSNK2A2CSNK2BCSNK2A1ALDH1A1POLB
SCHEMBL18924217 0.63 KDM4E (0.43) ALDH1A1POLBMAPTRAB9AKDM4E
SCHEMBL4015074 0.63 SLC6A3 (0.35) ALDH1A1
SCHEMBL565580 0.62 MCL1 (0.55) ALDH1A1POLBMAPTKDM4EMEN1
SCHEMBL29391372 0.62 MCL1 (0.55) ALDH1A1POLBMAPTKDM4EMEN1

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
US-9284541-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-03-15 US disclosed
US-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-24 US disclosed
US-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-24 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-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES LARS1, ACSL5, RARS1 CSNK2A2 3413/4885CSNK2B 3590/4885CSNK2A1 3255/4885

“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.