SCHEMBL349204

SCHEMBL349204

O=c1[nH]ccc2ccc(CN3CCOCC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.53
PARP1 P09874 4/20 0.52
HRH3 Q9Y5N1 2/20 0.46
MAPKAPK2 P49137 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.45
BRD4 O60885 1/20 0.44
TNKS O95271 1/20 0.44
NCF1 P14598 1/20 0.43
TSHR P16473 2/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
IDO2 Q6ZQW0 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL18643633 0.79 PARP1 (0.56) PARP1HRH3ALDH1A1HSD17B10TNKS
SCHEMBL2455576 0.77 CHEK1 (0.49) CHEK1PARP1MAPKAPK2MAPTTNKS
SCHEMBL349005 0.76 MAPKAPK2 (0.56) CHEK1PARP1HRH3MAPKAPK2IDO1
SCHEMBL21524690 0.76 PARP1 (0.53) PARP1HRH3MAPKAPK2HSD17B10BRD4
SCHEMBL21742928 0.76 KMT2A (0.58) PARP1HRH3ALDH1A1MAPTNCF1
SCHEMBL348688 0.75 PARP1 (0.45) PARP1HRH3ALDH1A1HSD17B10BRD4
SCHEMBL13659635 0.74 CHEK1 (0.84) CHEK1PARP1HRH3MAPKAPK2TNKS
SCHEMBL7023741 0.73 PARP1 (0.62) CHEK1PARP1HRH3ALDH1A1HSD17B10
SCHEMBL4292384 0.73 CHEK1 (0.82) CHEK1PARP1HRH3MAPKAPK2TNKS
SCHEMBL18643551 0.72 PARP1 (0.54) PARP1ALDH1A1HSD17B10MAPTTNKS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889698-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2014-11-18 US disclosed
US-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2012-01-19 US 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-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION BRD4, BMI1, BRPF3 CHEK1 530/4885PARP1 280/4885HRH3 1857/4885
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 CHEK1 4467/4885PARP1 3268/4885HRH3 4574/4885

“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.