SCHEMBL14712873

SCHEMBL14712873

N#Cc1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.64
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
PPARG P37231 1/20 0.46
MAPT P10636 8/20 0.43
APP P05067 6/20 0.43
SNCA P37840 6/20 0.43
FBP1 P09467 1/20 0.41
HDAC2 Q92769 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
NTSR1 P30989 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14712871 0.88 METAP1 (0.66) METAP1CTSLCTSBMAPTAPP
SCHEMBL20156973 0.82 METAP1 (0.42) METAP1CTSLCTSBMAPTAPP
SCHEMBL19820143 0.81 HDAC2 (0.42) METAP1CTSLCTSBMAPTAPP
SCHEMBL13044569 0.80 PPARG (0.64) METAP1PPARGMAPTKDM4EALDH1A1
SCHEMBL14713048 0.79 METAP1 (0.70) METAP1CTSLCTSBPPARGMAPT
SCHEMBL16542999 0.79 METAP1 (0.70) METAP1CTSLCTSBMAPTAPP
SCHEMBL16543005 0.79 CTSL (0.71) METAP1CTSLCTSBMAPTAPP
SCHEMBL11598594 0.78 METAP1 (1.00) METAP1CTSLCTSBPPARGMAPT
SCHEMBL11598589 0.78 METAP1 (1.00) METAP1CTSLCTSBPPARGMAPT
SCHEMBL29705914 0.75 METAP1 (0.67) METAP1CTSLCTSBMAPTAPP

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 2044/4885CTSL 4618/4885CTSB 3065/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 METAP1 2416/4885CTSL 3974/4885CTSB 2153/4885

“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.