SCHEMBL14712997

SCHEMBL14712997

O=C1NC(=S)NC(=O)C1=C/C=C/c1ccccc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.63
F2 P00734 1/20 0.54
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 2/20 0.47
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 2/20 0.46
NPC1 O15118 1/20 0.46
NFE2L2 Q16236 4/20 0.44
MAPT P10636 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPK1 P28482 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MITF O75030 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CCR6 P51684 1/20 0.43
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 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
SCHEMBL16543002 0.88 METAP1 (0.61) METAP1F2ALDH1A1NPC1NFE2L2
SCHEMBL14712992 0.82 METAP1 (0.63) METAP1F2ALDH1A1RAB9ASIRT2
SCHEMBL14713060 0.79 METAP1 (0.60) METAP1F2ALDH1A1RAB9ASIRT2
SCHEMBL14712996 0.78 METAP1 (0.59) METAP1F2ALDH1A1RAB9ASIRT2
SCHEMBL13848519 0.78 METAP1 (1.00) METAP1F2ALDH1A1RAB9ASIRT2
SCHEMBL4044276 0.78 METAP1 (1.00) METAP1F2ALDH1A1RAB9ASIRT2
SCHEMBL14713051 0.77 KMT2A (0.47) METAP1ALDH1A1NPC1NFE2L2MAPT
SCHEMBL14712988 0.75 METAP1 (0.71) METAP1F2ALDH1A1RAB9ASIRT2
SCHEMBL16543004 0.74 KMT2A (0.50) ALDH1A1NPC1NFE2L2MAPTKMT2A
SCHEMBL14712879 0.74 KMT2A (0.50) ALDH1A1NPC1NFE2L2MAPTKMT2A

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 2044/4885F2 4684/4885ALDH1A1 186/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 METAP1 2416/4885F2 4611/4885ALDH1A1 200/4885

“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.