SCHEMBL13332848

SCHEMBL13332848

O=Cc1cccn(Cc2cc(F)cc(F)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ THRB P10828 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTT P42858 3/20 0.43
▸ HDAC3 O15379 4/20 0.41
▸ HDAC4 P56524 4/20 0.41
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC7 Q8WUI4 4/20 0.41
▸ HDAC2 Q92769 4/20 0.41
▸ HDAC10 Q969S8 4/20 0.41
▸ HDAC11 Q96DB2 4/20 0.41
▸ HDAC8 Q9BY41 4/20 0.41
▸ HDAC6 Q9UBN7 4/20 0.41
▸ HDAC9 Q9UKV0 4/20 0.41
▸ HDAC5 Q9UQL6 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL4540682 0.82 PDPK1 (0.45) SMN1; SMN2MAPTLMNATHRBHDAC3
SCHEMBL19723217 0.81 BRD4 (0.54) SMN1; SMN2MAPTALDH1A1LMNATDP1
SCHEMBL13020361 0.77 HDAC3 (0.64) SMN1; SMN2MAPTALDH1A1THRBHTT
SCHEMBL8685114 0.75 ALDH1A1 (0.59) SMN1; SMN2MAPTALDH1A1LMNATDP1
SCHEMBL4430754 0.75 SMN1; SMN2 (0.58) SMN1; SMN2MAPTALDH1A1LMNAHTT
SCHEMBL14579665 0.74 MAPT (0.55) SMN1; SMN2MAPTALDH1A1LMNATHRB
SCHEMBL4619122 0.72 HDAC3 (0.40) SMN1; SMN2ALDH1A1LMNATHRBTDP1
SCHEMBL25316781 0.69 NPC1 (0.49) SMN1; SMN2MAPTALDH1A1LMNATHRB
SCHEMBL13306839 0.69 MAPT (0.49) SMN1; SMN2MAPTALDH1A1LMNAHTT
SCHEMBL13020325 0.68 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 — — 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-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 SMN1; SMN2 4244/4885MAPT 3341/4885ALDH1A1 1905/4885

“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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