SCHEMBL618001

SCHEMBL618001

CC(C)Oc1nc2ncccc2c(=O)n1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
IDO1 P14902 5/20 0.41
PDE10A Q9Y233 3/20 0.40
LIPG Q9Y5X9 1/20 0.38
TSHR P16473 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL616567 0.81 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL366928 0.75 IDO1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19IDO1
SCHEMBL21856545 0.68 GRM5 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19IDO1
SCHEMBL6283010 0.65 CCKBR (0.47) PDE10A
SCHEMBL27399036 0.64 L3MBTL1 (0.52) ALDH1A1IDO1MEN1POLBKMT2A
SCHEMBL13150845 0.64 IDO1 (0.48) IDO1PDE4APDE4BPDE4CPDE4D
SCHEMBL10107381 0.63 IDO1 (0.45) ALDH1A1IDO1TSHRPDE4APDE4B
SCHEMBL21142493 0.63 PDE4A (0.49) ALDH1A1CYP1A2CYP2C19IDO1TSHR
SCHEMBL10328256 0.62 FEN1 (0.42) ALDH1A1IDO1
SCHEMBL24995616 0.62 NPC1 (0.39) ALDH1A1IDO1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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 (6 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-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 650/4885CYP1A2 3585/4885CYP2C9 3876/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 ALDH1A1 3920/4885CYP1A2 4765/4885CYP2C9 4877/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 ALDH1A1 587/4885CYP1A2 3571/4885CYP2C9 4015/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 ALDH1A1 587/4885CYP1A2 3571/4885CYP2C9 4015/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 650/4885CYP1A2 3585/4885CYP2C9 3876/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 650/4885CYP1A2 3585/4885CYP2C9 3876/4885

“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.