SCHEMBL6804618

SCHEMBL6804618

CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(OC)cc1)Nc1nc2c(C)cc(CN(Cc3ccccc3)C(=O)O)c(C)c2c(=O)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.41
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.35
KLK1 P06870 1/20 0.35
PIN1 Q13526 1/20 0.34
TSPO P30536 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL6801293 0.93 ELANE (0.41) ELANETSHRLMNAPIN1TSPO
SCHEMBL6505448 0.93 ELANE (0.40) ELANETSHRLMNAKLK1PIN1
SCHEMBL6802037 0.88 ELANE (0.46) ELANELMNAALDH1A1NPSR1L3MBTL1
SCHEMBL6805137 0.87 ELANE (0.39) ELANETSHRLMNAPIN1TSPO
SCHEMBL6497577 0.86 ELANE (0.40) ELANETSHRLMNAPIN1TSPO
SCHEMBL6801336 0.86 ELANE (0.38) ELANETSHRLMNAPIN1TSPO
SCHEMBL7445664 0.85 ELANE (0.40) ELANETSHRLMNAKLK1TSPO
SCHEMBL6500847 0.82 ELANE (0.45) ELANELMNA
SCHEMBL6805848 0.81 ELANE (0.44) ELANELMNA
SCHEMBL6805498 0.81 ELANE (0.45) ELANEMEN1KMT2ATDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683077-B2 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS OF GIVEN FORMULA; HERPES INFECTIONS; ASSEMBLIN PROTEASE INHIBITORS G.D. SEARLE & CO. 2004-01-27 US disclosed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US disclosed
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 ELANE 2176/4885TSHR 1583/4885LMNA 2849/4885

“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.