SCHEMBL5340436

SCHEMBL5340436

CC(C)CC(=O)c1c(-c2ccc3c(Br)c(OCC#N)ccc3c2)sc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
NCEH1 Q6PIU2 4/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
GRM2 Q14416 1/20 0.33
PTPN1 P18031 3/20 0.33
PRNP P04156 2/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL5342448 0.87 PTPN1 (0.38) CNR1CNR2NCEH1TDP1L3MBTL1
SCHEMBL5335292 0.87 PTPN1 (0.36) CNR1CNR2NCEH1TDP1L3MBTL1
SCHEMBL5335301 0.85 CNR1 (0.38) CNR1CNR2NCEH1TDP1L3MBTL1
SCHEMBL5341795 0.83 SMN1; SMN2 (0.34) CNR1CNR2TDP1L3MBTL1ATM
SCHEMBL6579423 0.81 PTPN1 (0.40) L3MBTL1ATMSMN1; SMN2HPGDNPC1
SCHEMBL5338631 0.76 PTPN1 (0.46) CNR1CNR2SMN1; SMN2HPGDPTPN1
SCHEMBL5343854 0.75 PTPN1 (0.47) SMN1; SMN2HPGDPTPN1PRNPRXFP1
SCHEMBL5344423 0.75 PTPN1 (0.48) CNR1CNR2NCEH1SMN1; SMN2HPGD
SCHEMBL5340347 0.73 F9 (0.41) CNR1CNR2SMN1; SMN2HPGDNPC1
SCHEMBL5337137 0.73 F9 (0.41) CNR1CNR2SMN1; SMN2HPGDPTPN1

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-7163954-B2 Substituted naphthyl benzothiophene acids WYETH (US) 2007-01-16 US disclosed
US-20050070587-A1 Substituted naphthyl benzothiophene acids WYETH (US) 2005-03-31 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-20050070587-A1 Substituted naphthyl benzothiophene acids TST, GNPAT, NUDT1 CNR1 4226/4885CNR2 3680/4885NCEH1 643/4885

“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.