SCHEMBL1124302

SCHEMBL1124302

c1ccc(C2CNCCN2c2cc(N3CCOCC3)nc(N3CCNCC3c3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NAPEPLD Q6IQ20 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1124009 0.82 KMT2A (0.48) SLC6A4MAPTALDH1A1GAAHPGD
SCHEMBL1124108 0.81 KMT2A (0.50) HTTSLC6A4MAPTALDH1A1GAA
SCHEMBL1123896 0.77 CYP2D6 (0.40) HTTCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1124098 0.75 POLB (0.59) HTTPOLBNPSR1MAPTTSHR
SCHEMBL7646652 0.74 SLC6A2 (0.51) CYP2D6SLC6A2SLC6A4SLC6A3HDAC8
SCHEMBL1123412 0.73 NAPEPLD (0.68) HTTPOLBNPSR1MAPTTSHR
SCHEMBL9069830 0.73 CASP1 (0.71) HTTPOLBNPSR1KDM4EALDH1A1
SCHEMBL1123898 0.72 NAPEPLD (0.64) HTTPOLBNPSR1MAPTTSHR
SCHEMBL3319561 0.71 PLD1 (0.51) HTTCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL164537 0.70 SLC6A2 (0.59) CYP2D6SLC6A2SLC6A4SLC6A3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US claimed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 EP claimed
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 HTT 838/4885CYP2D6 1402/4885SLC6A2 917/4885

“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.