SCHEMBL13014827

SCHEMBL13014827

CC(C)NC(=O)C1CCCC1NC(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.50
▸ CASP3 P42574 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ GLS O94925 1/20 0.46
▸ TACR1 P25103 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL5993629 0.86 EPHX2 (0.52) EPHX2CASP3MAPTGLSHPGD
SCHEMBL6385132 0.82 EPHX2 (0.64) EPHX2MAPTGLS
SCHEMBL13014828 0.81 POLB (0.45) EPHX2MAPTHPGDPOLB
SCHEMBL11083024 0.76 EPHX2 (0.59) EPHX2MAPTGLSHPGDTDP1
SCHEMBL10305728 0.76 RECQL (0.57) HPGDL3MBTL1
SCHEMBL7674546 0.75 POLB (0.67) MAPTHPGDPOLB
SCHEMBL11085609 0.75 EPHX2 (0.58) EPHX2MAPTGLSHPGDTDP1
Hydrochloric Acid SCHEMBL32690605 0.73 LMNA (0.44) —
Hydrochloric Acid SCHEMBL27634849 0.73 POLB (0.65) MAPTHPGDPOLB
SCHEMBL11087924 0.73 EPHX2 (0.64) EPHX2MAPTGLS

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-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 — — US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 — — US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 — — 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 (2 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS EPHX2 3893/4885CASP3 827/4885MAPT 2833/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS EPHX2 3893/4885CASP3 827/4885MAPT 2833/4885

“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.

Send feedback