SCHEMBL22042166

SCHEMBL22042166

C[CH][C@@H](N=[N+]=[N-])c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.33
LMNA P02545 1/20 0.33
MIF P14174 3/20 0.32
GABRA1 P14867 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
TRPA1 O75762 2/20 0.30
DPP4 P27487 2/20 0.30
AOC3 Q16853 1/20 0.30
F2 P00734 1/20 0.30
TSHR P16473 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL22042170 1.00 PDE2A (0.33) PDE2ALMNAMIFGABRA1L3MBTL1
SCHEMBL27408321 0.80 CYP2D6 (0.35) PDE2ALMNAGABRA1L3MBTL1DPP4
SCHEMBL15295377 0.80 CYP3A4 (0.33) PDE2ADPP4F2TSHR
SCHEMBL30104386 0.80 CYP3A4 (0.33) PDE2ADPP4F2TSHR
SCHEMBL30104387 0.80 CYP3A4 (0.33) PDE2ADPP4F2TSHR
SCHEMBL18328138 0.72 PDE2A (0.58) PDE2ALMNAMIFGABRA1NOS2
SCHEMBL22042123 0.72 PDE2A (0.58) PDE2ALMNAMIFGABRA1NOS2
SCHEMBL13983512 0.72 PDE2A (0.58) PDE2ALMNAMIFGABRA1NOS2
SCHEMBL29888907 0.72 L3MBTL1 (0.31) L3MBTL1
SCHEMBL13983511 0.72 PDE2A (0.38) PDE2ALMNAMIFGABRA1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285850-B Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-04-22 CN disclosed
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 US disclosed
EP-3896062-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-10-20 EP disclosed
CN-111285850-A Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2020-06-16 CN disclosed
WO-2020114482-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND 中国科学院上海药物研究所 2020-06-11 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 (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-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND CRBN, CUL4B, UBQLN1 PDE2A 3829/4885LMNA 2811/4885MIF 691/4885

“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.