SCHEMBL13408419

SCHEMBL13408419

C=C(O/C(=N\N)c1ccccc1)c1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 1/20 0.45
▸ F2 P00734 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAOB P27338 3/20 0.36
▸ MAOA P21397 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.33
▸ KDR P35968 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NPC1 O15118 1/20 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
SCHEMBL3147361 0.81 F2 (0.50) PBRM1F2PLGPRSS1PRSS2
SCHEMBL12171994 0.76 TSHR (0.45) F2PRSS1PRSS2PRSS3CA1
SCHEMBL14451448 0.71 F2 (0.47) PBRM1F2PLGPRSS1PRSS2
SCHEMBL16396188 0.70 PBRM1 (0.59) PBRM1F2PLGPRSS1PRSS2
SCHEMBL12326742 0.69 PBRM1 (0.57) PBRM1F2PLGPRSS1PRSS2
SCHEMBL14099468 0.68 ALDH1A1 (0.34) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL19070659 0.67 F2 (0.56) PBRM1F2PLGPRSS1PRSS2
SCHEMBL20114738 0.66 F2 (0.55) PBRM1F2PLGPRSS1PRSS2
SCHEMBL9701403 0.66 PBRM1 (0.63) PBRM1F2PLGPRSS1PRSS2
SCHEMBL9975185 0.66 LMNA (0.36) MEN1KMT2AMAOBMAOAMAPT

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-20100093768-A1 Agents for Reversing Epigenetic Silencing of Genes THE JOHNS HOPKINS UNIVERSITY 2010-04-15 — — 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-20100093768-A1 Agents for Reversing Epigenetic Silencing of Genes MECP2, MBD2, GATAD2B PBRM1 563/4885F2 4881/4885PLG 4270/4885

“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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