SCHEMBL16447451

SCHEMBL16447451

CCCCOC(=O)c1c(Cl)ncc(I)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.48
LMNA P02545 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
MAPT P10636 3/20 0.42
ATM Q13315 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 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
SCHEMBL18089445 0.77 ESR1 (0.52) ESR1LMNAL3MBTL1MAPTTSHR
SCHEMBL18089447 0.77 ESR1 (0.46) ESR1LMNAL3MBTL1MAPTATM
SCHEMBL16446957 0.75 ESR1 (0.48) ESR1LMNAL3MBTL1MAPTTSHR
SCHEMBL521819 0.75 ESR1 (0.58) ESR1LMNAL3MBTL1MAPTATM
SCHEMBL14758321 0.74 ESR1 (0.49) ESR1LMNAL3MBTL1MAPTATM
SCHEMBL14741149 0.74 POLB (0.52) LMNAL3MBTL1TSHRTDP1POLB
SCHEMBL5340890 0.73 ESR1 (0.56) ESR1LMNAL3MBTL1MAPTATM
SCHEMBL18089444 0.73 ESR1 (0.48) ESR1LMNAL3MBTL1MAPTTSHR
SCHEMBL18089438 0.73 TSHR (0.46) ESR1LMNAL3MBTL1MAPTATM
SCHEMBL27684342 0.73 TSHR (0.46) ESR1LMNAL3MBTL1MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP ESR1 4580/4885LMNA 2119/4885L3MBTL1 321/4885

“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.