SCHEMBL14712872

SCHEMBL14712872

Cc1ccccc1/C=C/C=C1C(=O)N(C)C(=O)N(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
ALDH1A1 P00352 9/20 0.46
KMT2A Q03164 7/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPK1 P28482 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
APP P05067 2/20 0.46
XDH P47989 1/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 5/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 3/20 0.40
APEX1 P27695 1/20 0.40
SNCA P37840 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14712881 0.83 ALDH1A1 (0.45) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL14713053 0.82 NR1H3 (0.49) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL14712998 0.81 APP (0.52) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL15023805 0.80 XDH (0.60) MAPTALDH1A1KMT2AKDM4ENPSR1
SCHEMBL16543020 0.80 MAPT (0.52) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL14713047 0.79 APP (0.60) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL12866309 0.78 IAPP (0.45) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL14712874 0.76 ALDH1A1 (0.60) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL14712880 0.73 METAP1 (0.61) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL14712999 0.72 APP (0.46) MAPTALDH1A1KMT2AKDM4EMAPK1

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 MAPT 2828/4885ALDH1A1 186/4885KMT2A 2749/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 MAPT 3272/4885ALDH1A1 200/4885KMT2A 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.