SCHEMBL22042152

SCHEMBL22042152

[N-]=[N+]=NCc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NOS3 P29474 1/20 0.49
▸ NOS1 P29475 1/20 0.49
▸ NOS2 P35228 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KCNJ1 P48048 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ HIF1A Q16665 2/20 0.44
▸ EPAS1 Q99814 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NCF1 P14598 1/20 0.43
▸ AOC3 Q16853 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
SCHEMBL15500446 0.85 HRH3 (0.59) HRH3SMN1; SMN2ALDH1A1GAANCF1
SCHEMBL14270281 0.82 RAB9A (0.47) SMN1; SMN2ALDH1A1LMNAMAPTGAA
SCHEMBL15317796 0.81 HRH3 (0.59) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL15467001 0.80 HRH3 (0.87) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL13927854 0.78 HTT (0.49) HRH3SMN1; SMN2ALDH1A1
SCHEMBL16827099 0.78 CYP2A13 (0.54) HRH3ALDH1A1LMNAMAPTGAA
SCHEMBL11864 0.75 HRH3 (0.71) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL24915272 0.75 CXCR4 (0.69) HRH3SMN1; SMN2ALDH1A1HPGDNCF1
SCHEMBL28035495 0.75 HPGD (0.56) HRH3SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL17274360 0.74 HRH3 (0.59) HRH3SMN1; SMN2NOS3NOS1NOS2

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 HRH3 1119/4885SMN1; SMN2 4390/4885NOS3 2284/4885

“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.

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