SCHEMBL14712995

SCHEMBL14712995

CCN1C(=O)/C(=C/C=C/c2ccccc2)C(=O)NC1=S

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 2/20 0.61
MAPT P10636 12/20 0.60
KMT2A Q03164 10/20 0.60
MEN1 O00255 9/20 0.60
ALDH1A1 P00352 9/20 0.60
MAPK1 P28482 4/20 0.60
PKM P14618 3/20 0.60
MITF O75030 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
METAP1 P53582 2/20 0.58
POLB P06746 5/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
KDM4E B2RXH2 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
NTSR1 P30989 2/20 0.55
LMNA P02545 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
SIRT5 Q9NXA8 1/20 0.55
MDM2 Q00987 2/20 0.54

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
SCHEMBL14712869 1.00 BCL2A1 (0.61) BCL2A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL14712892 0.88 MAPT (0.72) BCL2A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL14712973 0.88 MEN1 (0.55) BCL2A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL14713020 0.86 MAPT (0.48) BCL2A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL14713002 0.86 MEN1 (0.48) BCL2A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL16542994 0.85 KMT2A (0.80) BCL2A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL16543001 0.84 KMT2A (0.51) BCL2A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL14712966 0.84 KMT2A (0.51) BCL2A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL14712965 0.82 MAPT (0.64) BCL2A1MAPTKMT2AMEN1ALDH1A1
SCHEMBL14712967 0.82 MAPT (0.53) BCL2A1MAPTKMT2AMEN1ALDH1A1

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 5 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-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-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 BCL2A1 18/4885MAPT 2828/4885KMT2A 2749/4885
US-20150065531-A1 COMPOUNDS FOR USE IN CANCER THERAPY MGMT, BCL2, BAK1 BCL2A1 15/4885MAPT 3272/4885KMT2A 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.