SCHEMBL12426467

SCHEMBL12426467

CCCN(CCC)CCCCN(CC(=O)OCC)Cc1ccc(CN=Cc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GLO1 Q04760 1/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.39
PPARG P37231 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2205031 0.87 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAKDM4EL3MBTL1
SCHEMBL12426408 0.85 LTA4H (0.41) SMN1; SMN2PPARGCA1CA2
SCHEMBL2205028 0.82 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAKDM4EL3MBTL1
SCHEMBL2205034 0.82 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAKDM4EL3MBTL1
SCHEMBL2203351 0.79 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL12426453 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EPPARGTDP1
SCHEMBL12509869 0.78 LTA4H (0.36) KMT2APPARG
SCHEMBL2203348 0.78 CA1 (0.43) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL15162785 0.77 LTA4H (0.42) ALDH1A1KMT2ASMN1; SMN2MAPK1TDP1
SCHEMBL15162786 0.77 LTA4H (0.42) ALDH1A1KMT2ASMN1; SMN2MAPK1TDP1

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-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 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 (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-20080293951-A1 Amin Derivative, and Production Method and Use Thereof BCAT2, BCAT1, MRPL9 ALDH1A1 213/4885KMT2A 2823/4885LMNA 1254/4885

“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.