SCHEMBL3325892

SCHEMBL3325892

O=C(Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.70
ALDH1A1 P00352 5/20 0.70
GAA P10253 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
KDM4E B2RXH2 1/20 0.70
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
PDE4B Q07343 4/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
MAPK1 P28482 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RAC1 P63000 1/20 0.59
MGAM O43451 1/20 0.57
SI P14410 1/20 0.57
MGAM2 Q2M2H8 1/20 0.57
POLB P06746 1/20 0.54
NQO2 P16083 1/20 0.53

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
SCHEMBL2029810 0.87 MAPT (0.71) MAPTALDH1A1GAAL3MBTL1KDM4E
SCHEMBL5605902 0.86 MAPT (0.74) MAPTALDH1A1GAAL3MBTL1KDM4E
SCHEMBL16085444 0.86 MAPT (0.70) MAPTALDH1A1GAAL3MBTL1KDM4E
SCHEMBL2024441 0.83 MAPT (0.70) MAPTALDH1A1GAAL3MBTL1KDM4E
SCHEMBL3327876 0.82 MAPT (0.60) MAPTALDH1A1GAAL3MBTL1NPC1
SCHEMBL4941162 0.80 MAPT (0.66) MAPTALDH1A1GAAL3MBTL1KDM4E
SCHEMBL27410358 0.79 MAPT (0.61) MAPTALDH1A1GAAL3MBTL1KDM4E
SCHEMBL3060394 0.79 MAPT (0.50) MAPTALDH1A1GAAL3MBTL1KDM4E
SCHEMBL4941158 0.78 ALDH1A1 (0.74) MAPTALDH1A1GAAL3MBTL1KDM4E
SCHEMBL13561177 0.78 MAPT (0.74) MAPTALDH1A1GAAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535371-B Guanidine-containing phenyl furan carboxamide compound and application thereof 华南农业大学 2025-02-18 CN disclosed
CN-116535371-A Guanidine-containing phenyl furan carboxamide compound and application thereof 华南农业大学 2023-08-04 CN disclosed
CN-110294749-B (S) -1, 3-thiazole phenyl furan thiocarbamate compound and preparation method and application thereof 华南农业大学 2022-01-25 CN disclosed
CN-110183428-B Furan thiocarbamate compound containing 1,2,3, 4-tetrazole and preparation method and application thereof 华南农业大学 2021-08-03 CN disclosed
CN-109265452-B Substituted phenyl furan-2-mercaptothiazoline ketone compounds and preparation method and application thereof 华南农业大学 2021-08-03 CN disclosed
CN-107674070-B Cyanoimine thiazolidine furan carboxamide compound and preparation method and application thereof 华南农业大学 2020-12-29 CN disclosed
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US disclosed
US-7678788-B2 Diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2010-03-16 US disclosed
EP-1599476-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH AS (DK) 2009-10-14 EP disclosed
US-20060148789-A1 Novel diazabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2006-07-06 US disclosed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP disclosed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 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 (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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES CHRNA6, CHRNA10, CHRNA2 MAPT 1607/4885ALDH1A1 846/4885GAA 3247/4885
US-20060148789-A1 Novel diazabicyclic aryl derivatives CHRNA6, CHRNA10, CHRNA2 MAPT 1607/4885ALDH1A1 846/4885GAA 3247/4885

“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.