SCHEMBL6784895

SCHEMBL6784895

NCc1ccc2onc(OCc3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ACHE P22303 2/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
MGMT P16455 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL5809583 0.86 HTR2A (0.41) MAOBCA12CA1CA2CA9
SCHEMBL6785437 0.80 CA1 (0.44) MAOBCA12CA1CA2CA9
SCHEMBL5796491 0.76 LMNA (0.55) CA1CA2LMNATSHRALDH1A1
SCHEMBL5823771 0.75 SMN1; SMN2 (0.48) LMNAMAPK1HTT
SCHEMBL8945338 0.74 L3MBTL1 (0.46) MAOBACHEMAOABRD4CYP3A4
SCHEMBL8944942 0.72 L3MBTL1 (0.44) MAOBACHEMAOA
Hydrochloric Acid SCHEMBL8944939 0.71 L3MBTL1 (0.43) MAOBACHEMAOA
SCHEMBL7214959 0.69 BRD4 (0.38) CA12CA1CA2CA9BRD4
Hydrochloric Acid SCHEMBL17442621 0.69 ROCK1 (0.41) CA12CA1CA2CA9CYP1A2
SCHEMBL5158226 0.68 HTR2A (0.48) MAOBCA12CA1CA2CA9

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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists GRIN1, GRIN2B, GRIN2A MAOB 1683/4885CA12 4192/4885CA1 1488/4885

“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.