SCHEMBL4744962

SCHEMBL4744962

COc1ccc(Oc2cc(Cl)nc(SC)n2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
S1PR4 O95977 1/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
DYRK1A Q13627 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PPARA Q07869 1/20 0.38
MAPT P10636 2/20 0.38
MAPK8 P45983 1/20 0.37

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
SCHEMBL4743283 0.83 SLC6A4 (0.44) NPSR1S1PR4SLC6A4SLC6A2SLC6A3
SCHEMBL6626527 0.82 TSHR (0.45) LMNATSHRNPSR1MEN1KMT2A
SCHEMBL14082612 0.82 HPGD (0.47) NPSR1S1PR4SLC6A4SLC6A2SLC6A3
SCHEMBL6623489 0.80 KMT2A (0.45) LMNATSHRNPSR1MEN1KMT2A
SCHEMBL14082631 0.78 NPC1 (0.44) NPSR1HPGDHTTMAPTALDH1A1
SCHEMBL6625062 0.77 MEN1 (0.59) LMNATSHRNPSR1HPGDMEN1
SCHEMBL991954 0.76 POLB (0.44) LMNATSHRNPSR1MEN1KMT2A
SCHEMBL6629111 0.75 RXRA (0.44) LMNATSHRNPSR1HSP90AA1HSP90AB1
SCHEMBL23884161 0.74 MEN1 (0.50) LMNATSHRNPSR1HPGDMEN1
SCHEMBL17513239 0.74 SLC6A4 (0.47) S1PR4SLC6A4SLC6A2SLC6A3HSP90AA1

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
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
WO-2008098143-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 WO disclosed
WO-2008098143-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 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-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 LMNA 3111/4885TSHR 4809/4885NPSR1 2356/4885

“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.