SCHEMBL18138145

SCHEMBL18138145

CCOC(=O)NCCOCCOCCNC(=O)c1ccc(CN)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
CA2 P00918 3/20 0.48
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 2/20 0.47
MCHR1 Q99705 1/20 0.45
GLA P06280 1/20 0.45
LMNA P02545 1/20 0.45
LOXL2 Q9Y4K0 4/20 0.45
HDAC3 O15379 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
LOX P28300 2/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL8404700 0.85 SMN1; SMN2 (0.58) SMN1; SMN2CA2HPGDKMT2AMCHR1
SCHEMBL8404703 0.84 SMN1; SMN2 (0.57) SMN1; SMN2CA2NPC1HPGDRAB9A
SCHEMBL6674215 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CA2KMT2AMCHR1LOXL2
SCHEMBL24808224 0.82 SMN1; SMN2 (0.54) SMN1; SMN2CA2NPC1HPGDKMT2A
SCHEMBL23568255 0.82 SMN1; SMN2 (0.57) SMN1; SMN2CA2NPC1HPGDKMT2A
SCHEMBL8404711 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CA2NPC1HPGDKMT2A
SCHEMBL19634404 0.79 LOXL2 (0.64) NPC1HPGDKMT2AMCHR1LOXL2
SCHEMBL13360594 0.79 SMN1; SMN2 (0.56) SMN1; SMN2CA2NPC1HPGDRAB9A
SCHEMBL2650933 0.79 MAPT (0.53) SMN1; SMN2NPC1HPGDRAB9AKMT2A
SCHEMBL19634682 0.78 KMT2A (0.55) SMN1; SMN2NPC1HPGDRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160297768-A1 NOVEL IMIDAZOLE DERIVATIVES AND THERAPEUTIC USE THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-10-13 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-20160297768-A1 NOVEL IMIDAZOLE DERIVATIVES AND THERAPEUTIC USE THEREOF TP53, BAD, API5 SMN1; SMN2 3608/4885CA2 2085/4885NPC1 1082/4885

“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.