SCHEMBL1124031

SCHEMBL1124031

CC(=O)c1ccc(N2CCN(c3nc(N4CCOCC4)cc(N4CCOCC4)n3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 5/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
THRB P10828 2/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.52
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
PIK3CA P42336 1/20 0.51
JAK2 O60674 1/20 0.51
FLT3 P36888 1/20 0.51
GBA1 P04062 1/20 0.50

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
SCHEMBL1124001 1.00 PTGS2 (0.58) PTGS2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL334850 0.83 MAPT (0.74) PTGS2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1123927 0.82 PTGS2 (0.56) PTGS2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1123910 0.82 PTGS2 (0.56) PTGS2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1124097 0.82 MTOR (0.61) SMN1; SMN2MAPTALDH1A1KMT2AKDM4E
SCHEMBL1123583 0.82 KMT2A (0.65) NPC1RAB9ASMN1; SMN2MAPTATM
SCHEMBL1123990 0.82 KMT2A (0.65) NPC1RAB9ASMN1; SMN2MAPTATM
Ammonia Solution, Strong SCHEMBL7025659 0.81 MAPT (0.72) PTGS2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1124037 0.81 PIK3CA (0.65) NPC1SMN1; SMN2MAPTALDH1A1KMT2A
Formaldehyde SCHEMBL4408279 0.80 MAPT (0.70) PTGS2NPC1RAB9ASMN1; SMN2MAPT

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 10 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-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
EP-2284160-B1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KK (JP) 2013-05-15 EP disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 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 PTGS2 1366/4885NPC1 355/4885RAB9A 3071/4885

“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.