SCHEMBL20101408

SCHEMBL20101408

CCOC(=O)Cc1cnc2c(Br)cccc2c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
PKM P14618 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL16624626 0.90 NR1H2 (0.42) KDM4ENR1H2NR1H3PPARGPPARD
SCHEMBL21610286 0.84 L3MBTL1 (0.43) ALDH1A1TDP1L3MBTL1KDM4EMAPT
SCHEMBL20216015 0.84 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1KDM4EMAPT
SCHEMBL16624739 0.78 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1KDM4EMAPT
SCHEMBL16624699 0.74 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1KDM4EMAPT
SCHEMBL16624698 0.74 NR1H2 (0.41) KDM4ENR1H2NR1H3PPARGPPARD
SCHEMBL16624680 0.73 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1KDM4EMAPT
SCHEMBL16624704 0.73 MMP1 (0.41) KDM4ENR1H2NR1H3PPARGPPARD
SCHEMBL16624697 0.73 MAPT (0.53) ALDH1A1TDP1L3MBTL1KDM4EMAPT
SCHEMBL22540430 0.72 TRPM8 (0.39) ALDH1A1TDP1L3MBTL1KDM4EMAPT

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-10519446-B2 Organic compounds to treat hepatitis B virus NOVARTIS AG (CH) 2019-12-31 US disclosed
US-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 US disclosed
EP-3052107-B1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2018-05-02 EP 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 ALDH1A1 4223/4885TDP1 728/4885L3MBTL1 73/4885

“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.