SCHEMBL1023543

SCHEMBL1023543

CCC(C)OC(=O)C(=CNc1cccc(C)n1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
MAPT P10636 5/20 0.48
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
GBA1 P04062 2/20 0.40
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL2023579 0.87 MEN1 (0.46) KMT2AMEN1MAPTKDM4ETP53
SCHEMBL2971654 0.85 MEN1 (0.45) KMT2AMEN1MAPTKDM4ECHRNB2
SCHEMBL2650764 0.84 MEN1 (0.44) KMT2AMEN1MAPTKDM4ETP53
SCHEMBL11562497 0.84 MEN1 (0.87) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL1020568 0.84 MEN1 (0.42) KMT2AMEN1MAPTKDM4ETP53
SCHEMBL11764046 0.82 ALDH1A1 (0.44) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL3419583 0.81 MEN1 (0.39) KMT2AMEN1MAPTKDM4ETP53
SCHEMBL395325 0.79 DHODH (0.46) MAPTKDM4ERAB9ANPC1TP53
SCHEMBL1023541 0.77 MEN1 (1.00) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL3370547 0.77 MAPT (0.45) KMT2AMEN1MAPTKDM4ELMNA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
EP-2314590-A1 Substituted quinolones and methods of use ChemoCentryx, Inc. (US) 2011-04-27 EP disclosed
EP-1954274-B8 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2011-01-12 EP disclosed
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1954274-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE ChemoCentryx Inc (US) 2008-08-13 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
US-20070173526-A1 Compounds and methods for treating dyslipidemia ELI LILLY AND COMPANY (US) 2007-07-26 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed
EP-1735320-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005097806-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-10-20 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 (5 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KMT2A 3566/4885MEN1 4571/4885MAPT 1347/4885
US-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B KMT2A 1633/4885MEN1 1755/4885MAPT 3753/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KMT2A 3566/4885MEN1 4571/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KMT2A 3566/4885MEN1 4571/4885MAPT 1347/4885
US-20070173526-A1 Compounds and methods for treating dyslipidemia PCSK9, APOB, LIPC KMT2A 1664/4885MEN1 2528/4885MAPT 4690/4885

“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.