SCHEMBL14712901

SCHEMBL14712901

O=C1NC(=O)C(=C/C=C/c2ccccc2Cl)C(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.61
DOCK2 Q92608 1/20 0.57
XDH P47989 1/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
APP P05067 1/20 0.41
SNCA P37840 1/20 0.41
PIM1 P11309 1/20 0.40
F2 P00734 1/20 0.39
SOS1 Q07889 1/20 0.39

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
SCHEMBL14712895 0.81 METAP1 (0.50) METAP1DOCK2MAPTALDH1A1KMT2A
SCHEMBL16543002 0.81 METAP1 (0.61) METAP1XDHMAPTALDH1A1KMT2A
SCHEMBL14712880 0.81 METAP1 (0.61) METAP1XDHMAPTALDH1A1KMT2A
SCHEMBL14712961 0.80 DOCK2 (0.60) METAP1DOCK2MAPTALDH1A1KMT2A
SCHEMBL14181823 0.80 XDH (0.61) XDHMAPTALDH1A1KMT2AKDM4E
SCHEMBL14713042 0.79 XDH (0.69) METAP1XDHMAPTALDH1A1KMT2A
SCHEMBL14713049 0.78 METAP1 (0.58) METAP1MAPTALDH1A1KMT2AKDM4E
SCHEMBL14713003 0.77 METAP1 (0.57) METAP1XDHMAPTALDH1A1KMT2A
SCHEMBL14712955 0.77 METAP1 (0.56) METAP1DOCK2XDHMAPTALDH1A1
SCHEMBL11598589 0.76 METAP1 (1.00) METAP1MAPTALDH1A1KMT2AKDM4E

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
US-9994554-B2 Barbiturate and thiobarbiturate compounds for use in cancer therapy NUHOPE LLC (US) 2018-06-12 US disclosed
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-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
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
WO-2013024447-A1 COMPOUNDS FOR USE IN CANCER THERAPY NUHOPE, LLC (US) 2013-02-21 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 (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 METAP1 2044/4885DOCK2 3567/4885XDH 936/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 METAP1 2416/4885DOCK2 3035/4885XDH 1176/4885

“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.