SCHEMBL5352174

SCHEMBL5352174

N#CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.47
KMT2A Q03164 2/20 0.47
NCEH1 Q6PIU2 4/20 0.47
TP53 P04637 1/20 0.38
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.35
STS P08842 1/20 0.33
CYP19A1 P11511 1/20 0.33
ERN1 O75460 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL4670678 0.85 NCEH1 (0.38) RXFP1KMT2ANCEH1TP53SMN1; SMN2
SCHEMBL6579023 0.85 NCEH1 (0.38) RXFP1KMT2ANCEH1TP53SMN1; SMN2
SCHEMBL6582051 0.85 TP53 (0.41) RXFP1KMT2ANCEH1TP53LMNA
SCHEMBL6583415 0.85 NCEH1 (0.49) RXFP1KMT2ANCEH1TP53LMNA
SCHEMBL4674130 0.84 ROCK1 (0.41) RXFP1KMT2ANCEH1STSCYP19A1
SCHEMBL4670151 0.81 NCEH1 (0.43) RXFP1KMT2ANCEH1LMNASMN1; SMN2
SCHEMBL7361821 0.81 RAB9A (0.48) RXFP1KMT2ANCEH1TP53LMNA
SCHEMBL12370676 0.80 NCEH1 (0.51) RXFP1KMT2ANCEH1LMNASMN1; SMN2
SCHEMBL4670146 0.80 NCEH1 (0.40) RXFP1KMT2ANCEH1SMN1; SMN2HPGD
SCHEMBL4674126 0.79 NCEH1 (0.43) RXFP1KMT2ANCEH1LMNASMN1; 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 4 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
EP-1664015-A1 SUBSTITUTED NAPHTHYL BENZOTHIOPHENE ACIDS Wyeth (US) 2006-06-07 EP disclosed
WO-2005030750-A1 SUBSTITUTED NAPHTHYL BENZOTHIOPHENE ACIDS WYETH (US) 2005-04-07 WO 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 RXFP1 4872/4885KMT2A 2100/4885NCEH1 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.