SCHEMBL7312113

SCHEMBL7312113

CC(C)(C)OC(=O)NCCc1cn(Cc2cccc(C(=O)O)c2)c2ccc(-c3cccc4ccccc34)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
HDAC10 Q969S8 1/20 0.44
NQO2 P16083 1/20 0.44
ICMT O60725 10/20 0.43
F10 P00742 1/20 0.40
NR1H2 P55055 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
PLA2G2A P14555 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL7312118 0.83 NTSR1 (0.40) HDAC6HDAC10ICMTF10
Hydrochloric Acid SCHEMBL7307947 0.82 F10 (0.48) ICMTF10KMT2A
SCHEMBL7309785 0.79 NQO2 (0.48) NQO2
SCHEMBL7397679 0.77 MTNR1A (0.46) MTNR1AMTNR1BNQO2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL7308593 0.75 F10 (0.52) ICMTF10
SCHEMBL7307869 0.74 CNR2 (0.40) MTNR1AMTNR1BHDAC6HDAC10NQO2
SCHEMBL320558 0.72 NQO2 (0.50) NQO2
Hydrochloric Acid SCHEMBL7314502 0.72 ICMT (0.52) ICMTF10
SCHEMBL21614223 0.71 NR4A2 (0.51) MTNR1AMTNR1BNQO2SUCNR1HDAC1
SCHEMBL29208391 0.71 HDAC6 (0.52) MTNR1AMTNR1BHDAC6HDAC10NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020004198-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2002-01-10 US disclosed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 MTNR1A 4451/4885MTNR1B 4294/4885HDAC6 188/4885

“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.