SCHEMBL5881010

SCHEMBL5881010

C=CCOCCC(=O)Sc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 2/20 0.35
RAB9A P51151 3/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL421227 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL277446 0.82 LMNA (0.50) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL13569377 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL13030804 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL12109353 0.79 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL9983120 0.78 DAGLA (0.46) ALDH1A1KMT2AMAPTLMNATSHR
SCHEMBL10126453 0.74 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL4120039 0.73 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL15503157 0.72 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL535804 0.72 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTLMNAHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 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 (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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 ALDH1A1 729/4885CHRNB2 4843/4885CHRNB4 4826/4885

“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.