SCHEMBL6847640

SCHEMBL6847640

O=C(CCNCCCO)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
NAPRT Q6XQN6 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
KMT2A Q03164 4/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL6847570 0.92 KDM4E (0.50) KDM4ENAPRTHCAR2SMN1; SMN2ADORA3
SCHEMBL8940359 0.84 KDM4E (0.52) KDM4ENAPRTHCAR2SMN1; SMN2ADORA3
SCHEMBL13517842 0.81 KDM4E (0.39) KDM4ENAPRTHCAR2SMN1; SMN2ADORA3
SCHEMBL13518431 0.78 KDM4E (0.44) KDM4ENAPRTHCAR2SMN1; SMN2ADORA3
SCHEMBL30096713 0.78 KDM4E (0.72) KDM4ESMN1; SMN2KMT2AHPGDLMNA
SCHEMBL13517810 0.77 KMT2A (0.56) KDM4ENAPRTHCAR2SMN1; SMN2KMT2A
SCHEMBL6847182 0.77 SMN1; SMN2 (0.48) KDM4ENAPRTHCAR2SMN1; SMN2ADORA3
SCHEMBL13518550 0.75 HDAC1 (0.56) HCAR2SMN1; SMN2KMT2AMEN1
SCHEMBL17709388 0.74 KDM4E (0.52) KDM4ENAPRTHCAR2SMN1; SMN2ADORA3
SCHEMBL13518428 0.73 ALDH1A1 (0.47) KDM4ENAPRTADORA3KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US claimed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
WO-2011055561-A1 PROTEIN CROSSLINKING INHIBITOR AND USE THEREOF 独立行政法人科学技術振興機構 (JP) 2011-05-12 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 (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-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 KDM4E 1192/4885NAPRT 3813/4885HCAR2 3479/4885

“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.