SCHEMBL14712977

SCHEMBL14712977

COc1ccc2c(c1)OCC(C=C1C(=O)N(C)C(=O)N(C)C1=O)=C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
NR1H4 Q96RI1 1/20 0.44
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAOB P27338 5/20 0.39
APAF1 O14727 1/20 0.38
LMNA P02545 3/20 0.37
HPGD P15428 3/20 0.37
TDP1 Q9NUW8 3/20 0.37

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
SCHEMBL31544361 0.77 ALOX5 (0.54) ALOX5NR1H4ALDH1A1MAPTKMT2A
SCHEMBL9729530 0.77 ALOX5 (0.54) ALOX5NR1H4ALDH1A1MAPTKMT2A
SCHEMBL16543008 0.76 KMT2A (0.42) ALDH1A1MAPTKMT2AKDM4ECA12
SCHEMBL10470600 0.68 ALOX5 (0.71) ALOX5NR1H4ALDH1A1MAPTKMT2A
SCHEMBL432850 0.68 ALOX5 (0.71) ALOX5NR1H4ALDH1A1MAPTKMT2A
SCHEMBL3128647 0.68 ALDH1A1 (0.59) ALOX5ALDH1A1MAPTKMT2AKDM4E
SCHEMBL10310537 0.68 PTGS1 (0.46) ALOX5NR1H4ALDH1A1MAPTKDM4E
SCHEMBL9162143 0.67 MAOB (0.53) ALOX5NR1H4CA12CA9PTGS1
SCHEMBL9162122 0.67 MAOB (0.53) ALOX5NR1H4CA12CA9PTGS1
SCHEMBL30488585 0.67 ALOX5 (0.55) ALOX5NR1H4ALDH1A1MAPTKMT2A

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 ALOX5 939/4885NR1H4 3433/4885ALDH1A1 186/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 ALOX5 526/4885NR1H4 3633/4885ALDH1A1 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.