SCHEMBL29378237

SCHEMBL29378237

c1ccc(N2CCOCC2)c(Cn2ccnn2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.46
MC4R P32245 1/20 0.45
P2RX7 Q99572 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
BRD4 O60885 2/20 0.41
BRD9 Q9H8M2 2/20 0.41
TEK Q02763 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
PDE2A O00408 1/20 0.37
CYP2A13 Q16696 4/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL29378508 0.86 P2RX7 (0.41) MC4RP2RX7BRD4BRD9TEK
SCHEMBL3128000 0.84 CYP19A1 (0.47) CYP19A1MC4RPTGDR2
SCHEMBL28263864 0.77 CYP19A1 (0.68) CYP19A1PTGDR2
SCHEMBL29471948 0.75 CYP19A1 (0.54) CYP19A1MAOAMAOB
SCHEMBL29471949 0.73 AGXT (0.52) CYP19A1MAOAMAOB
SCHEMBL14857886 0.73 BRD4 (0.45) P2RX7BRD4BRD9SCN2ASCN10A
SCHEMBL6703722 0.72 LMNA (0.48) P2RX7BRD4BRD9CYP2A13PKM
SCHEMBL6509065 0.72 PKM (0.60) BRD4BRD9CYP2A13PKM
SCHEMBL10210890 0.72 CYP2A13 (0.53) PDE2ACYP2A13
SCHEMBL3127155 0.71 BRD4 (0.53) P2RX7BRD4BRD9SCN2ASCN10A

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 2 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

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 CYP19A1 1469/4885MC4R 2358/4885P2RX7 1973/4885

“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.