SCHEMBL14713019

SCHEMBL14713019

O=C1NC(=S)NC(=O)C1=C/C=C/c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.68
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 1/20 0.51
F2 P00734 1/20 0.51
NFE2L2 Q16236 3/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 4/20 0.43
APP P05067 1/20 0.43
SNCA P37840 1/20 0.43
BCL2A1 Q16548 1/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NTSR1 P30989 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MITF O75030 1/20 0.41
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14712994 0.88 METAP1 (0.67) METAP1ALDH1A1NFE2L2MAOAMAOB
SCHEMBL14712988 0.82 METAP1 (0.71) METAP1ALDH1A1RAB9AF2MAPT
SCHEMBL4044276 0.82 METAP1 (1.00) METAP1ALDH1A1RAB9AF2MAPT
SCHEMBL13848519 0.82 METAP1 (1.00) METAP1ALDH1A1RAB9AF2MAPT
SCHEMBL14713018 0.80 METAP1 (0.63) METAP1ALDH1A1RAB9AF2MAPT
SCHEMBL14713046 0.79 MAPT (0.49) METAP1ALDH1A1NFE2L2MAOAMAOB
SCHEMBL14713002 0.78 MEN1 (0.48) METAP1ALDH1A1MAPTBCL2A1MEN1
SCHEMBL14713004 0.76 KMT2A (0.56) METAP1ALDH1A1NFE2L2MAOAMAOB
SCHEMBL16543021 0.74 METAP1 (0.68) METAP1ALDH1A1RAB9AF2MAPT
SCHEMBL14712997 0.74 METAP1 (0.63) METAP1ALDH1A1RAB9AF2NFE2L2

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 2044/4885ALDH1A1 186/4885RAB9A 3014/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 METAP1 2416/4885ALDH1A1 200/4885RAB9A 3630/4885

“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.