SCHEMBL504414

SCHEMBL504414

COc1ccccc1OCCCCCCCCCCCCNC(=Nc1cccnc1)NC#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
IMPDH2 P12268 5/20 0.43
HRH4 Q9H3N8 3/20 0.39
NOTUM Q6P988 1/20 0.39
EGFR P00533 3/20 0.39
NAMPT P43490 3/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PTAFR P25105 2/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
ABCC9 O60706 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36

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
SCHEMBL504296 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10IMPDH2HRH4NOTUM
SCHEMBL505065 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10IMPDH2HRH4NOTUM
SCHEMBL504360 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10IMPDH2HRH4NOTUM
SCHEMBL504361 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10IMPDH2HRH4NOTUM
SCHEMBL504297 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10IMPDH2HRH4NOTUM
SCHEMBL504413 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10IMPDH2HRH4NOTUM
SCHEMBL505066 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10IMPDH2HRH4NOTUM
SCHEMBL504155 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10IMPDH2HRH4EGFR
SCHEMBL504154 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10IMPDH2HRH4EGFR
SCHEMBL14122305 0.89 ALDH1A1 (0.46) ALDH1A1HSD17B10IMPDH2HRH4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN MICHELE SCI-TECH DEVELOPMENT CO., LTD. (CN) 2012-02-02 US claimed
EP-2394649-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-12-14 EP claimed
US-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN MICHELE SCI-TECH DEVELOPMENT CO., LTD. (CN) 2012-02-02 US disclosed
EP-2394649-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-12-14 EP 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 (1 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-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF PLPBP, PYGL, QDPR ALDH1A1 4182/4885HSD17B10 3843/4885IMPDH2 1033/4885

“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.