SCHEMBL22434801

SCHEMBL22434801

C[C@H]1[C@@H](OCc2ccccc2)[C@H](c2ccc3c(N)ncnn23)O[C@@H]1COCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.39
▸ HSPA5 P11021 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ GJB2 P29033 2/20 0.34
▸ SSTR1 P30872 1/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ PTPN1 P18031 6/20 0.34
▸ CDC25B P30305 6/20 0.34
▸ BCHE P06276 1/20 0.33
▸ PTPN2 P17706 2/20 0.33
▸ PTPN6 P29350 2/20 0.33
▸ PTPN11 Q06124 2/20 0.33

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
SCHEMBL17106818 0.91 HTR1A (0.43) PDE2AHSPA5HTR1ACA1CA2
SCHEMBL17106820 0.91 HTR1A (0.43) PDE2AHSPA5HTR1ACA1CA2
SCHEMBL25598746 0.91 HTR1A (0.43) PDE2AHSPA5HTR1ACA1CA2
SCHEMBL18371661 0.90 POLRMT (0.33) PDE2AHSPA5BCHE
SCHEMBL16708471 0.90 POLRMT (0.33) PDE2AHSPA5BCHE
SCHEMBL18636426 0.87 PDE2A (0.49) PDE2AHSPA5HTR1ACA1CA2
SCHEMBL19227796 0.87 PDE2A (0.49) PDE2AHSPA5HTR1ACA1CA2
SCHEMBL18666890 0.81 HSPA5 (0.36) PDE2AHSPA5HTR1A
SCHEMBL29937871 0.80 HTR1A (0.43) PDE2AHTR1ACA1CA2CA9
SCHEMBL29937393 0.80 HTR1A (0.43) PDE2AHTR1ACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289539-A1 NOVEL SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-17 — — 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-20200289539-A1 NOVEL SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 PDE2A 253/4885HSPA5 4266/4885HTR1A 3761/4885

“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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