SCHEMBL5895307

SCHEMBL5895307

O=C(O)/C(=C\c1cc(-c2ccccc2Cl)ccc1F)NC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KAT6A Q92794 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PAK1 Q13153 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL5895298 1.00 MEN1 (0.43) MEN1KMT2APKMSMN1; SMN2L3MBTL1
SCHEMBL5895318 1.00 MEN1 (0.43) MEN1KMT2APKMSMN1; SMN2L3MBTL1
SCHEMBL5895771 0.89 KAT6A (0.43) MEN1KMT2ANPC1RAB9AKAT6A
SCHEMBL5895781 0.89 KAT6A (0.43) MEN1KMT2ANPC1RAB9AKAT6A
SCHEMBL5895761 0.89 KAT6A (0.43) MEN1KMT2ANPC1RAB9AKAT6A
SCHEMBL5896106 0.83 ERN1 (0.46) MEN1KMT2ALMNAMAPTDHODH
SCHEMBL5896115 0.83 ERN1 (0.46) MEN1KMT2ALMNAMAPTDHODH
SCHEMBL5896122 0.83 ERN1 (0.46) MEN1KMT2ALMNAMAPTDHODH
SCHEMBL5894981 0.82 MAPT (0.49) MEN1KMT2ASMN1; SMN2KAT6ALMNA
SCHEMBL5894958 0.82 MAPT (0.49) MEN1KMT2ASMN1; SMN2KAT6ALMNA

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 MEN1 4847/4885KMT2A 2798/4885PKM 4388/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI MEN1 4861/4885KMT2A 2664/4885PKM 4318/4885

“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.