SCHEMBL12753145

SCHEMBL12753145

O=C(Nc1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12)c1cnccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ABL1 P00519 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ TSHR P16473 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MCL1 Q07820 1/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ MPL P40238 1/20 0.41
▸ TEK Q02763 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL12753167 0.86 SMN1; SMN2 (0.56) SMN1; SMN2ABL1TSHRALDH1A1ALOX15
SCHEMBL12753138 0.86 IRAK4 (0.47) SMN1; SMN2NPC1RAB9AIRAK4DYRK1A
SCHEMBL1419746 0.84 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL12753133 0.83 ALDH1A1 (0.60) SMN1; SMN2TSHRALDH1A1ALOX15MCL1
SCHEMBL1029914 0.81 NPC1 (0.52) SMN1; SMN2NPC1RAB9AL3MBTL1ABL1
SCHEMBL4547972 0.76 NPC1 (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1ABL1
SCHEMBL1420203 0.76 DHODH (0.60) SMN1; SMN2NPC1RAB9AIRAK4ALDH1A1
SCHEMBL12753187 0.75 DHODH (0.49) SMN1; SMN2NPC1RAB9AABL1IRAK4
SCHEMBL1481142 0.75 HPGD (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MPL
SCHEMBL12029120 0.75 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AL3MBTL1ABL1

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-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 — — US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 — — 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-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SMN1; SMN2 1970/4885NPC1 4009/4885RAB9A 825/4885

“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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