SCHEMBL1124142

SCHEMBL1124142

O=[N+]([O-])c1ccccc1N1CCN(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.56
CASP4 P49662 1/20 0.56
CASP5 P51878 1/20 0.56
CTSB P07858 1/20 0.54
MAPT P10636 10/20 0.53
LMNA P02545 4/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.48
CYP2C9 P11712 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL1124008 1.00 CASP1 (0.56) CASP1CASP4CASP5CTSBMAPT
SCHEMBL30779614 0.84 CTSB (0.68) CTSBMAPTLMNAMAPK1TDP1
SCHEMBL2206983 0.84 CTSB (0.68) CTSBMAPTLMNAMAPK1TDP1
SCHEMBL1123748 0.79 KMT2A (0.54) CASP1CASP5MAPTLMNAKDM4E
SCHEMBL3435076 0.79 CTSB (0.65) CTSBMAPTLMNAMAPK1TDP1
SCHEMBL12562672 0.79 MAPT (0.61) CASP1CASP4CASP5CTSBMAPT
SCHEMBL12562674 0.79 MAPT (0.61) CASP1CASP4CASP5CTSBMAPT
SCHEMBL1123911 0.78 PIK3CB (0.54) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL1123978 0.78 PIK3CB (0.54) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL1123882 0.78 KMT2A (0.60) LMNAKDM4EALDH1A1KMT2ASMN1; SMN2

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-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 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-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF CASP3, DPYD, CASP1 CASP1 3/4885CASP4 27/4885CASP5 32/4885

“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.