SCHEMBL5895672

SCHEMBL5895672

O=C(CCC1CCCC1)N/C(=C/c1ccc(Oc2ccc(Br)cc2Cl)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 3/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
NPSR1 Q6W5P4 3/20 0.37
MAPT P10636 2/20 0.37
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5895658 1.00 RAB9A (0.45) RAB9AHPGDSMN1; SMN2NPC1LMNA
SCHEMBL5895679 1.00 RAB9A (0.45) RAB9AHPGDSMN1; SMN2NPC1LMNA
SCHEMBL5895867 0.91 RAB9A (0.43) RAB9AHPGDSMN1; SMN2NPC1LMNA
SCHEMBL5895506 0.91 FFAR1 (0.51) RAB9AHPGDNPC1LMNAKMT2A
SCHEMBL5895889 0.91 RAB9A (0.43) RAB9AHPGDSMN1; SMN2NPC1LMNA
SCHEMBL5895486 0.91 FFAR1 (0.51) RAB9AHPGDNPC1LMNAKMT2A
SCHEMBL5895882 0.91 RAB9A (0.43) RAB9AHPGDSMN1; SMN2NPC1LMNA
SCHEMBL5895496 0.91 FFAR1 (0.51) RAB9AHPGDNPC1LMNAKMT2A
SCHEMBL5895908 0.89 NPSR1 (0.44) RAB9AHPGDNPC1LMNAKMT2A
SCHEMBL5895900 0.89 NPSR1 (0.44) RAB9AHPGDNPC1LMNAKMT2A

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-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 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-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI RAB9A 1149/4885HPGD 2011/4885SMN1; SMN2 3496/4885

“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.