SCHEMBL13014828

SCHEMBL13014828

CC(C)NC(=O)C1CN(C)CC1NC(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ CYP3A4 P08684 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CNR2 P34972 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL8520402 0.86 ADAM17 (0.45) POLBEPHX2ALDH1A1MEN1KMT2A
SCHEMBL13014827 0.81 EPHX2 (0.50) POLBEPHX2HPGDMAPT
SCHEMBL21514108 0.74 EPHX2 (0.61) POLBEPHX2ALDH1A1MEN1KMT2A
SCHEMBL7674546 0.72 POLB (0.67) POLBALDH1A1HPGDCNR2MEN1
Hydrochloric Acid SCHEMBL27634849 0.70 POLB (0.65) POLBALDH1A1HPGDCNR2MEN1
SCHEMBL5993629 0.68 EPHX2 (0.52) EPHX2ALDH1A1HPGDMEN1KMT2A
SCHEMBL10211615 0.68 EPHX2 (0.64) EPHX2ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL6385132 0.67 EPHX2 (0.64) EPHX2ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL16672173 0.67 POLB (0.55) POLBALDH1A1HPGDCNR2MEN1
SCHEMBL13105233 0.67 GBA1 (0.51) CYP3A4TSHRALDH1A1

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 POLB 138/4885EPHX2 3893/4885CYP3A4 1792/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS POLB 138/4885EPHX2 3893/4885CYP3A4 1792/4885

“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.

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