SCHEMBL9529342

SCHEMBL9529342

c1ccc(COc2cccc3[nH]cnc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.64
DRD3 P35462 3/20 0.64
DRD2 P14416 3/20 0.64
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
IDO1 P14902 1/20 0.49
SRD5A2 P31213 1/20 0.46
HTR1A P08908 3/20 0.45
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.45
HTR2A P28223 1/20 0.45
PDE5A O76074 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
BRD4 O60885 1/20 0.43
CDC7 O00311 1/20 0.43

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
SCHEMBL8120489 0.79 DRD4 (1.00) DRD4DRD3DRD2HTR1A
SCHEMBL29907232 0.78 DRD2 (0.54) DRD4DRD3DRD2MAPTMAPK1
SCHEMBL12894974 0.78 DRD2 (0.54) DRD4DRD3DRD2MAPTMAPK1
SCHEMBL1082131 0.77 FOLH1 (0.47) DRD4DRD3DRD2MAPTTDP1
SCHEMBL22326016 0.77 DRD4 (0.52) DRD4DRD3DRD2MAPTHTR1A
SCHEMBL31588180 0.77 DRD2 (0.52) DRD4DRD3DRD2MAPTMAPK1
SCHEMBL18490452 0.76 CDC7 (0.49) DRD4DRD3DRD2MAPK1L3MBTL1
SCHEMBL8693868 0.76 MAPT (0.49) DRD2MAPTMAPK1TDP1L3MBTL1
SCHEMBL20597759 0.76 SRD5A2 (0.48) DRD4DRD3DRD2MAPTMAPK1
SCHEMBL8486072 0.75 DRD4 (0.58) DRD4DRD3DRD2MAPK1HTR1A

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-20220125771-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-04-28 US disclosed
CN-113825756-A Substituted polycyclic carboxylic acids, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2021-12-21 CN disclosed
EP-3911653-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-11-24 EP disclosed
WO-2020150366-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-07-23 WO disclosed
CN-105461709-B Substituted urea derivatives and their use in medicine 广东东阳光药业有限公司 2020-01-21 CN disclosed
EP-0266326-B1 NOVEL DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS Aktiebolaget Hässle (SE) 1993-03-10 EP disclosed
US-5106862-A DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS AKTIEBOLAGET HASSLE (SE) 1992-04-21 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 (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-20220125771-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, HDGF DRD4 291/4885DRD3 351/4885DRD2 802/4885

“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.