SCHEMBL2201068

SCHEMBL2201068

NC(=O)C(N)CCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
KDM4E B2RXH2 4/20 0.51
LMNA P02545 2/20 0.51
KEAP1 Q14145 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GLA P06280 1/20 0.46
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
ANPEP P15144 1/20 0.42
PAOX Q6QHF9 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL2179400 0.89 KDM4E (0.52) GAAKDM4ELMNAKEAP1SMN1; SMN2
SCHEMBL21952349 0.87 GAA (0.54) GAAKDM4ELMNAKEAP1SMN1; SMN2
SCHEMBL21994880 0.87 GAA (0.54) GAAKDM4ELMNAKEAP1SMN1; SMN2
SCHEMBL14796019 0.85 L3MBTL1 (0.47) GAAKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL18162805 0.84 GAA (0.51) GAAKDM4ELMNAKEAP1SMN1; SMN2
SCHEMBL14795584 0.84 L3MBTL1 (0.50) GAALMNASMN1; SMN2ALDH1A1ANPEP
SCHEMBL2181054 0.82 PAOX (0.47) GAAKDM4ELMNASMN1; SMN2RAB9A
SCHEMBL18159725 0.80 GAA (0.48) GAAKDM4ELMNAKEAP1SMN1; SMN2
SCHEMBL18162791 0.80 GAA (0.51) GAAKDM4ELMNAKEAP1SMN1; SMN2
SCHEMBL30088669 0.80 GAA (0.55) GAAKDM4ELMNAKEAP1SMN1; SMN2

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
EP-3929203-A1 DERIVATIVES OF AMPHOTERICIN B Sfunga Therapeutics, Inc. (US) 2021-12-29 EP disclosed
WO-2016168568-A1 DERIVATIVES OF AMPHOTERICIN B Revolution Medicines, Inc. (US) 2016-10-20 WO disclosed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 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-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds DPYD, TP53, TYMP GAA 823/4885KDM4E 2457/4885LMNA 1134/4885

“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.