SCHEMBL4797985

SCHEMBL4797985

O[C@@H]1Cc2ccccc2C1Nc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.55
MAPK1 P28482 1/20 0.42
MAPK10 P53779 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NAMPT P43490 1/20 0.39
HTR2A P28223 4/20 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
SCHEMBL30357031 0.80 MAPT (0.43) AURKARPS6KB1MAPTNPSR1L3MBTL1
SCHEMBL28997067 0.80 MAPT (0.43) AURKARPS6KB1MAPTNPSR1L3MBTL1
SCHEMBL13181766 0.73 SLC6A4 (0.44) SLC6A4SLC6A3AURKARPS6KB1KMT2A
SCHEMBL4935777 0.71 FADS1 (1.00) FADS1MAPK1MAOBMAPTKMT2A
SCHEMBL1239662 0.70 MEN1 (0.46) SLC6A4SLC6A3MAOBKMT2AMEN1
SCHEMBL8351029 0.70 MEN1 (0.46) SLC6A4SLC6A3MAOBKMT2AMEN1
SCHEMBL18539300 0.70 AURKA (0.43) SLC6A4SLC6A3AURKARPS6KB1KMT2A
SCHEMBL21916831 0.70 P2RX7 (0.46) SLC6A4SLC6A3AURKARPS6KB1KMT2A
SCHEMBL12993256 0.70 NAMPT (0.43) SLC6A4SLC6A3AURKARPS6KB1MAOB
SCHEMBL4573484 0.70 MMP9 (0.45) SLC6A4SLC6A3AURKARPS6KB1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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 (2 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 FADS1 1059/4885MAPK1 1866/4885MAPK10 1247/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885MAPK1 4578/4885MAPK10 3931/4885

“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.