SCHEMBL6522082

SCHEMBL6522082

CC(C)[C@@H](C(=O)N1CCC(Oc2cnc(-c3ccccc3)nc2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.41
NAMPT P43490 3/20 0.40
HPGDS O60760 2/20 0.39
SCD5 Q86SK9 1/20 0.38
MAPT P10636 2/20 0.37
LNPEP Q9UIQ6 2/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
LIPE Q05469 3/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL6522050 0.86 LNPEP (0.37) SRD5A1NAMPTMAPTLNPEPLIPE
SCHEMBL6518379 0.86 HMOX1 (0.43) SRD5A1NAMPTHPGDSSCD5IKBKB
SCHEMBL6525322 0.85 P2RX3 (0.39) NAMPTLNPEPLIPEHRH3
SCHEMBL6522441 0.85 GPR119 (0.41) SRD5A1NAMPTMAPTLNPEPLIPE
SCHEMBL6520375 0.84 LPL (0.44) SRD5A1NAMPTMAPTLNPEPLIPE
SCHEMBL6522916 0.83 LNPEP (0.37) NAMPTLNPEPGPR119
SCHEMBL6525436 0.83 CHRM4 (0.41) NAMPTLIPEGPR119
SCHEMBL6527742 0.83 EPHX2 (0.48) NAMPTMAPTALDH1A1
SCHEMBL6525325 0.82 LIPE (0.51) SRD5A1NAMPTMAPTLNPEPLIPE
SCHEMBL6523941 0.82 EPHX2 (0.44) SRD5A1NAMPTMAPTLNPEPALDH1A1

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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 SRD5A1 141/4885NAMPT 1696/4885HPGDS 690/4885

“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.