SCHEMBL5896831

SCHEMBL5896831

O=C(O)/C(=C/c1cccc(Oc2ccc(Cl)cc2)c1)NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
ALDH1A1 P00352 5/20 0.51
HTT P42858 3/20 0.51
ALOX12 P18054 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 1/20 0.46
ASF1A Q9Y294 1/20 0.46
CASP3 P42574 3/20 0.46
SENP7 Q9BQF6 3/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL5896842 1.00 LMNA (0.67) LMNAALDH1A1HTTALOX12SMN1; SMN2
SCHEMBL5896837 1.00 LMNA (0.67) LMNAALDH1A1HTTALOX12SMN1; SMN2
SCHEMBL5895003 0.93 LMNA (0.76) LMNAALDH1A1HTTSMN1; SMN2CYP2C9
SCHEMBL5895012 0.93 LMNA (0.76) LMNAALDH1A1HTTSMN1; SMN2CYP2C9
SCHEMBL5895023 0.93 LMNA (0.76) LMNAALDH1A1HTTSMN1; SMN2CYP2C9
SCHEMBL5896366 0.88 LMNA (0.70) LMNAALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL5896384 0.88 LMNA (0.70) LMNAALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL5896370 0.88 LMNA (0.70) LMNAALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL5896358 0.88 LMNA (0.70) LMNAALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL5896350 0.88 LMNA (0.70) LMNAALDH1A1CYP2C9CYP2C19MAPT

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 LMNA 4118/4885ALDH1A1 832/4885HTT 3967/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI LMNA 4047/4885ALDH1A1 1400/4885HTT 3928/4885

“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.