SCHEMBL12978017

SCHEMBL12978017

CC(C)NC(=O)c1cccc(C(=O)Nc2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.68
▸ LMNA P02545 2/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ NAMPT P43490 3/20 0.62
▸ RAB9A P51151 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ BRAF P15056 2/20 0.60
▸ MAPT P10636 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ GAA P10253 1/20 0.58
▸ CYP11B1 P15538 1/20 0.58
▸ CYP11B2 P19099 1/20 0.58

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
SCHEMBL30533390 0.89 LMNA (0.81) ALDH1A1LMNAHIF1ANAMPTNPC1
SCHEMBL11079972 0.87 ALDH1A1 (0.59) ALDH1A1LMNAHIF1ANAMPTRAB9A
SCHEMBL12017613 0.84 BRAF (0.79) ALDH1A1LMNAHIF1ANAMPTRAB9A
SCHEMBL13702145 0.83 HDAC1 (0.66) ALDH1A1LMNARAB9ANPC1HTT
SCHEMBL12978293 0.83 HTT (0.83) ALDH1A1LMNAHIF1ANAMPTRAB9A
SCHEMBL12978039 0.82 GAA (0.84) ALDH1A1LMNANAMPTRAB9ANPC1
SCHEMBL12979 0.82 BRAF (0.79) ALDH1A1LMNAHIF1ANAMPTNPC1
SCHEMBL29099754 0.82 LMNA (0.69) ALDH1A1LMNAHIF1ANAMPTTSHR
SCHEMBL31661935 0.82 BRAF (0.79) ALDH1A1LMNAHIF1ANAMPTNPC1
SCHEMBL13701744 0.81 ALDH1A1 (0.64) ALDH1A1LMNAHIF1ANAMPTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 — — US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 — — US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 — — EP 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR ALDH1A1 551/4885LMNA 2262/4885HIF1A 4690/4885

“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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