SCHEMBL6479986

SCHEMBL6479986

CN1CCN(C(=O)CCC(=O)Oc2cccc(N3CCN(C(=O)c4c5ccccc5nc5ccccc45)CC3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
P2RY12 Q9H244 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HTR1A P08908 3/20 0.44
MAPK1 P28482 1/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PARP1 P09874 1/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTR7 P34969 2/20 0.42

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
SCHEMBL6500007 0.85 ALDH1A1 (0.47) KMT2AP2RY12ALDH1A1MAPTACACB
SCHEMBL6480776 0.82 KMT2A (0.53) KMT2AALDH1A1MAPTACACBACACA
SCHEMBL6491894 0.82 KMT2A (0.52) KMT2AALDH1A1MAPTMAPK1ACACB
SCHEMBL6481517 0.81 KMT2A (0.53) KMT2AP2RY12ALDH1A1MAPK1ACACB
SCHEMBL18854912 0.80 KMT2A (0.66) KMT2AALDH1A1MAPTMAPK1GAA
SCHEMBL6492275 0.79 ACACB (0.58) KMT2AMEN1ALDH1A1MAPTACACB
SCHEMBL6478995 0.77 KMT2A (0.48) KMT2AALDH1A1ACACBACACAGAA
SCHEMBL6480148 0.77 LGALS8 (0.40) KMT2AP2RY12ALDH1A1MAPTMAPK1
SCHEMBL6491981 0.77 KMT2A (0.51) KMT2AALDH1A1ACACBACACAGAA
SCHEMBL6480462 0.77 KMT2A (0.45) KMT2AALDH1A1MAPTMAPK1ACACB

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-20050009809-A1 Aryl- and heteroaryl-substituted piperazinylcarbonyl acridines and their homologs, e.g., (1,3-dihydroxyacridin-9-yl)-[4-(6-methyl pyridin-2-yl )piperazin-1-yl]methanone,are suitable for treating benign and malignant tumors ZENTARIS GMBH (DE) 2005-01-13 US claimed
US-6884814-B2 Phenyl benzisoxazoles as estrogenic agents WYETH (US) 2005-04-26 US disclosed
US-20050009809-A1 Aryl- and heteroaryl-substituted piperazinylcarbonyl acridines and their homologs, e.g., (1,3-dihydroxyacridin-9-yl)-[4-(6-methyl pyridin-2-yl )piperazin-1-yl]methanone,are suitable for treating benign and malignant tumors ZENTARIS GMBH (DE) 2005-01-13 US disclosed
US-20030207927-A1 Phenyl benzisoxazoles as estrogenic agents WYETH 2003-11-06 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 (2 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-20050009809-A1 Aryl- and heteroaryl-substituted piperazinylcarbonyl acridines and their homologs, e.g., (1,3-dihydroxyacridin-9-yl)-[4-(6-methyl pyridin-2-yl )piperazin-1-yl]methanone,are suitable for treating benign and malignant tumors PKD1, MDH2, MSH2 KMT2A 1945/4885MEN1 58/4885P2RY12 3627/4885
US-20030207927-A1 Phenyl benzisoxazoles as estrogenic agents ESR1, ESR2, GPER1 KMT2A 1104/4885MEN1 3500/4885P2RY12 1765/4885

“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.