SCHEMBL2404677

SCHEMBL2404677

c1ccc(OB(Cc2ccccn2)c2cccc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
KCNA3 P22001 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ADRB2 P07550 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
RAB9A P51151 2/20 0.35
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL12270762 0.71 SMN1; SMN2 (0.38) KCNH2SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL5952980 0.70 KCNA3 (0.41) MAPTKCNA3ALDH1A1KMT2ATSHR
SCHEMBL2398291 0.67 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL13383583 0.66 SMN1; SMN2 (0.38) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL12266370 0.65 SYK (0.42) SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL2937858 0.65 NISCH (0.54) SMN1; SMN2MAPTKCNA3ALDH1A1KMT2A
SCHEMBL5376702 0.65 SMN1; SMN2 (0.44) KCNH2SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL27883546 0.65 KDM4E (0.40) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL28911912 0.64 ADRA2A (0.53) SMN1; SMN2MAPTALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL28965963 0.63 ADRA2A (0.55) SMN1; SMN2MAPTALDH1A1LMNA

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
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 KCNH2 3166/4885SMN1; SMN2 4119/4885MAPT 3240/4885

“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.