SCHEMBL5895889

SCHEMBL5895889

O=C(CCC1CCCC1)NC(=Cc1ccc(Oc2ccc(Br)cc2Br)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 5/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
DPEP1 P16444 1/20 0.34

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
SCHEMBL5895867 1.00 RAB9A (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL5895882 1.00 RAB9A (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL5896607 0.91 NPC1 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL5896552 0.91 TDP1 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL5896535 0.91 TDP1 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL5896356 0.91 HPGD (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL5896546 0.91 TDP1 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL5896363 0.91 HPGD (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL5896595 0.91 NPC1 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL5896603 0.91 NPC1 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD

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 1149/4885SMN1; SMN2 3496/4885NPC1 131/4885

“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.