SCHEMBL4604008

SCHEMBL4604008

CN1C(=O)C(=Cc2ccco2)C(=O)N(C)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 12/20 0.53
MEN1 O00255 11/20 0.53
POLB P06746 10/20 0.53
BLM P54132 6/20 0.53
TDP1 Q9NUW8 5/20 0.53
USP2 O75604 4/20 0.53
RECQL P46063 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HPGD P15428 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 8/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 3/20 0.50

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
SCHEMBL18922024 0.81 ITGA4 (0.64) MAPTLMNAKMT2AMEN1POLB
SCHEMBL20718846 0.80 TDP1 (0.54) MAPTLMNAKMT2AMEN1POLB
SCHEMBL22095990 0.76 ITGA4 (0.70) MAPTLMNAKMT2AMEN1POLB
SCHEMBL11149259 0.75 POLB (0.50) MAPTLMNAKMT2AMEN1POLB
SCHEMBL13322146 0.75 STK17B (0.49) MAPTLMNAKMT2AMEN1POLB
SCHEMBL29489704 0.75 ITGA4 (0.61) MAPTLMNAKMT2AMEN1POLB
SCHEMBL11149254 0.74 MEN1 (0.73) MAPTLMNAKMT2AMEN1POLB
SCHEMBL4603774 0.72 MAPT (0.59) MAPTLMNAKMT2AMEN1POLB
SCHEMBL20718844 0.72 MEN1 (0.59) MAPTLMNAKMT2AMEN1POLB
SCHEMBL20718840 0.72 ITGA4 (0.58) MAPTLMNAKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845781-B1 USE OF COMPOUNDS DERIVED FROM PYRIMIDINETRIONE AS ACETYL CHOLINESTERASE INHIBITORS, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND THE USES THEREOF CENTRE NAT RECH SCIENT (FR) 2008-07-09 EP claimed
US-9994554-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-06-12 US disclosed
US-20180134691-A1 BARBITURATE AND THIOBARBITURATE COMPOUNDS FOR USE IN CANCER THERAPY NUHOPE, LLC (US) 2018-05-17 US disclosed
US-9878998-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-01-30 US disclosed
US-9878998-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-01-30 US disclosed
WO-2017189700-A1 NEGATIVE PHOTOCHROMIC MATERIALS WITH TUNABLE PROPERTIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-02 WO disclosed
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY CONNOR, JAMES R. 2015-03-05 US disclosed
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY CONNOR, JAMES R. 2015-03-05 US disclosed
EP-1845781-B1 USE OF COMPOUNDS DERIVED FROM PYRIMIDINETRIONE AS ACETYL CHOLINESTERASE INHIBITORS, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND THE USES THEREOF CENTRE NAT RECH SCIENT (FR) 2008-07-09 EP 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 (2 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-20180134691-A1 BARBITURATE AND THIOBARBITURATE COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAX MAPT 2828/4885LMNA 3144/4885KMT2A 2749/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 MAPT 3272/4885LMNA 1907/4885KMT2A 3262/4885

“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.