SCHEMBL12763752

SCHEMBL12763752

COc1ccc(-c2nc3ccc(C(C)C)cc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
ALDH1A1 P00352 4/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
TP53 P04637 3/20 0.67
HPGD P15428 3/20 0.67
PKM P14618 3/20 0.67
LMNA P02545 2/20 0.67
POLB P06746 2/20 0.67
SLC2A1 P11166 1/20 0.65
RAB9A P51151 5/20 0.62
KDM4E B2RXH2 3/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
TSHR P16473 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CHEK2 O96017 6/20 0.61
HTT P42858 2/20 0.60

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
SCHEMBL13160197 0.88 HDAC3 (0.65) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8603235 0.85 SLC2A1 (0.76) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL20982659 0.84 NPC1 (0.85) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12763751 0.82 MAPT (0.62) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12837269 0.81 ALOX5 (0.70) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28116665 0.81 ALDH1A1 (0.58) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1662754 0.80 MEN1 (0.84) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL20445326 0.80 SLC2A1 (0.68) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6243395 0.80 NPC1 (1.00) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2478174 0.80 NPC1 (0.68) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US 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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E NPC1 1299/4885SMN1; SMN2 4053/4885ALDH1A1 1625/4885

“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.