SCHEMBL5895771

SCHEMBL5895771

O=C(O)/C(=C\c1cc(-c2ccccc2Cl)ccc1Cl)NC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.43
MAPT P10636 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
PAK1 Q13153 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
EPHX1 P07099 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DEGS1 O15121 1/20 0.39

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
SCHEMBL5895781 1.00 KAT6A (0.43) KAT6AMAPTPTGER1PTGER3PTGER2
SCHEMBL5895761 1.00 KAT6A (0.43) KAT6AMAPTPTGER1PTGER3PTGER2
SCHEMBL5895298 0.89 MEN1 (0.43) KAT6AMAPTALDH1A1MEN1KMT2A
SCHEMBL5895318 0.89 MEN1 (0.43) KAT6AMAPTALDH1A1MEN1KMT2A
SCHEMBL5895307 0.89 MEN1 (0.43) KAT6AMAPTALDH1A1MEN1KMT2A
SCHEMBL5896115 0.86 ERN1 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5896122 0.86 ERN1 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5896106 0.86 ERN1 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5894958 0.85 MAPT (0.49) KAT6AMAPTALDH1A1MEN1KMT2A
SCHEMBL5894981 0.85 MAPT (0.49) KAT6AMAPTALDH1A1MEN1KMT2A

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 5 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
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
US-20040142980-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO 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 (2 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-20040142980-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 KAT6A 895/4885MAPT 3583/4885PTGER1 882/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI KAT6A 738/4885MAPT 3589/4885PTGER1 1335/4885

“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.