SCHEMBL5895657

SCHEMBL5895657

O=C(O)C(NC(=O)c1ccccc1)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 2/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
HDAC1 Q13547 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50

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
SCHEMBL5041032 0.82 KMT2A (0.57) KMT2ATDP1SMN1; SMN2ALDH1A1NPC1
SCHEMBL2159179 0.82 TDP1 (0.59) KMT2ATDP1SMN1; SMN2ALDH1A1NPC1
SCHEMBL76489 0.79 ALDH1A1 (0.67) KMT2ATDP1SMN1; SMN2ALDH1A1NPC1
Hydrochloric Acid SCHEMBL27693713 0.77 ALDH1A1 (0.64) KMT2ATDP1SMN1; SMN2ALDH1A1NPC1
SCHEMBL28249754 0.77 MAPT (0.44) KMT2ATDP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL10671584 0.76 ALDH1A1 (0.57) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL7416207 0.75 EPHX1 (0.52) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1005988 0.75 ALDH1A1 (0.61) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL28362828 0.75 ALDH1A1 (0.61) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL6340484 0.75 RAB9A (0.72) KMT2ATDP1SMN1; SMN2ALDH1A1NPC1

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 KMT2A 2798/4885TDP1 1545/4885SMN1; SMN2 3237/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI KMT2A 2664/4885TDP1 2026/4885SMN1; 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.