SCHEMBL22658317

SCHEMBL22658317

NNc1ccc2ccoc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.41
CYP2A6 P11509 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRNA7 P36544 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
DYRK1A Q13627 2/20 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
SCHEMBL11355784 0.83 DYRK1A (0.46) HTR1BCYP2A6DYRK1ACDK9CA2
Hydrochloric Acid SCHEMBL7556243 0.82 DYRK1A (0.44) HTR1BCYP2A6DYRK1ACDK9CA2
SCHEMBL17361703 0.79 HTR1B (0.49) HTR1BCYP2A6KDM4ECYP3A4CYP2D6
SCHEMBL21646342 0.75 HTR1B (0.49) HTR1BCYP2A6KDM4ECYP3A4CYP2D6
SCHEMBL22614903 0.75 CYP2A6 (0.42) HTR1BCYP2A6KDM4ECYP3A4CYP2D6
SCHEMBL22129545 0.73 HTR1B (0.45) HTR1BCYP2A6KDM4ECYP3A4CYP2D6
SCHEMBL11118650 0.72 DRD4 (0.58) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL596878 0.71 CYP3A4 (0.44) HTR1BCYP2A6KDM4ECYP3A4CYP2D6
SCHEMBL29756248 0.70 DYRK1A (0.50) HTR1BCYP2A6KDM4ECYP3A4CYP2D6
SCHEMBL11874631 0.70 HTR1B (0.39) HTR1BCYP2A6KDM4ECYP3A4CYP2D6

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-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO, INC. 2025-06-12 US disclosed
US-12133852-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2024-11-05 US disclosed
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2022-09-29 US disclosed
EP-3983386-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-04-20 EP disclosed
CN-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 CN disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO 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 (3 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-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 HTR1B 3215/4885CYP2A6 3751/4885KDM4E 2609/4885
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 HTR1B 3215/4885CYP2A6 3751/4885KDM4E 2609/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 HTR1B 3215/4885CYP2A6 3751/4885KDM4E 2609/4885

“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.