SCHEMBL5491918

SCHEMBL5491918

CCOC(=O)C(C#N)CCCC(C=NN(C)C)c1ccc(C(=O)OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 7/20 0.35
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HTT P42858 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL5491912 1.00 KDM4E (0.35) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5489855 0.79 NOTUM (0.36) KDM4ESMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL5489852 0.79 NOTUM (0.36) KDM4ESMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL14469415 0.78 ALDH1A1 (0.36) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL8982266 0.78 CA1 (0.40) LMNASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL9039166 0.75 CYP4A11 (0.52) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL9343047 0.74 CYP4A11 (0.53) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5497295 0.74 ALDH1A1 (0.35) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5497297 0.74 ALDH1A1 (0.35) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL8982245 0.73 TDP1 (0.38) KDM4ELMNASMN1; SMN2ALDH1A1MAPT

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-20070167377-A1 Inhibitors of glycinamide ribonucleotide transformylase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-19 US disclosed
EP-1495006-A4 INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE SCRIPPS RESEARCH INST (US) 2006-05-10 EP disclosed
EP-1495006-A1 INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE The Scripps Research Institute (US) 2005-01-12 EP disclosed
WO-2003087065-A1 INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2003-10-23 WO 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-20070167377-A1 Inhibitors of glycinamide ribonucleotide transformylase TYMS, NMT2, NMT1 KDM4E 1825/4885LMNA 3200/4885SMN1; SMN2 3099/4885

“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.