SCHEMBL5489855

SCHEMBL5489855

COC(=O)c1ccc(C(C=NN(C)C)CCCBr)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CYP4F2 P78329 1/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5489852 1.00 NOTUM (0.36) NOTUMALDH1A1MAPTCYP4A11CA1
SCHEMBL5491918 0.79 KDM4E (0.35) ALDH1A1MAPTTDP1GAAHPGD
SCHEMBL5491912 0.79 KDM4E (0.35) ALDH1A1MAPTTDP1GAAHPGD
SCHEMBL5497277 0.72 NOTUM (0.36) NOTUMALDH1A1MAPTCYP4A11CA1
SCHEMBL5497269 0.72 NOTUM (0.36) NOTUMALDH1A1MAPTCYP4A11CA1
SCHEMBL9442337 0.69 MAPT (0.43) ALDH1A1MAPTCYP4A11CA1CA2
SCHEMBL8982280 0.68 CA1 (0.45) ALDH1A1MAPTCA1CA2TDP1
SCHEMBL2656656 0.68 MGLL (0.48) ALDH1A1MAPTTSHRNPC1MAPK1
SCHEMBL14469263 0.66 LOXL2 (0.51) ALDH1A1MAPTCYP4A11CA1CA2
SCHEMBL27316459 0.66 ALDH1A1 (0.51) ALDH1A1MAPTCYP4A11CA1CA2

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 NOTUM 1491/4885ALDH1A1 726/4885MAPT 2783/4885

“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.