SCHEMBL5335301

SCHEMBL5335301

CC(=O)c1c(-c2ccc3c(Br)c(OCC#N)ccc3c2)sc2ccccc12.c1cc2cc-2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
NCEH1 Q6PIU2 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
PTPN1 P18031 3/20 0.33
MMP3 P08254 2/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5343856 0.88 PTPN1 (0.45) CNR1CNR2HPGDSMN1; SMN2PTPN1
SCHEMBL5340436 0.85 CNR1 (0.36) CNR1CNR2NCEH1L3MBTL1TDP1
SCHEMBL5342448 0.84 PTPN1 (0.38) CNR1CNR2NCEH1L3MBTL1TDP1
SCHEMBL5337145 0.84 F9 (0.44) CNR1CNR2HPGDSMN1; SMN2PTPN1
SCHEMBL5335292 0.84 PTPN1 (0.36) CNR1CNR2NCEH1L3MBTL1TDP1
SCHEMBL5341289 0.73 APP (0.39) TDP1CYP19A1CYP11B1CYP11B2HPGD
SCHEMBL5338631 0.73 PTPN1 (0.46) CNR1CNR2HPGDSMN1; SMN2PTPN1
SCHEMBL5343854 0.72 PTPN1 (0.47) HPGDSMN1; SMN2PTPN1PRNPRXFP1
SCHEMBL5344423 0.72 PTPN1 (0.48) CNR1CNR2NCEH1HPGDSMN1; SMN2
SCHEMBL5341879 0.70 F9 (0.41) CNR1CNR2NCEH1HPGDSMN1; SMN2

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.