SCHEMBL8259759

SCHEMBL8259759

CCCCc1ccc(C(C)C)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
HIF1A Q16665 1/20 0.51
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 7/20 0.49

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
SCHEMBL24451674 0.95 RAB9A (0.49) NFKB1L3MBTL1MAPTALDH1A1TDP1
SCHEMBL22725670 0.93 RAB9A (0.51) NFKB1L3MBTL1MAPTALDH1A1TDP1
SCHEMBL5515445 0.89 SMN1; SMN2 (0.41) NFKB1L3MBTL1MAPTALDH1A1TDP1
SCHEMBL27754222 0.86 NFKB1 (0.49) NFKB1L3MBTL1MAPTALDH1A1TDP1
SCHEMBL21921107 0.84 ESR1 (0.37) NFKB1L3MBTL1MAPTALDH1A1TDP1
SCHEMBL23583491 0.84 ESR1 (0.40) NFKB1L3MBTL1MAPTALDH1A1TDP1
SCHEMBL5513086 0.80 KDM4E (0.43) L3MBTL1KDM4ECYP1A2RAB9ASMN1; SMN2
SCHEMBL20932917 0.79 ESR1 (0.39) NFKB1L3MBTL1MAPTALDH1A1TDP1
SCHEMBL27779353 0.79 ESR1 (0.39) NFKB1L3MBTL1MAPTALDH1A1TDP1
SCHEMBL12185864 0.79 ESR1 (0.42) NFKB1L3MBTL1MAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US disclosed
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US disclosed
EP-1846424-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-01-27 EP disclosed
US-20090075936-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-03-19 US disclosed
US-20090075936-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-03-19 US disclosed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US disclosed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20070043014-A1 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
WO-2006086600-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-08-17 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 (3 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-20070043014-A1 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists S1PR3, S1PR1, S1PR5 NFKB1 2580/4885L3MBTL1 2976/4885MAPT 4771/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 NFKB1 4073/4885L3MBTL1 3585/4885MAPT 4669/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 NFKB1 325/4885L3MBTL1 473/4885MAPT 2047/4885

“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.