SCHEMBL12978293

SCHEMBL12978293

CC(C)C(=O)Nc1cccc(C(=O)Nc2cccnc2)c1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.83
▸ BRAF P15056 5/20 0.64
▸ ALDH1A1 P00352 4/20 0.63
▸ LMNA P02545 2/20 0.62
▸ MAPT P10636 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.61
▸ NAMPT P43490 1/20 0.61
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ TP53 P04637 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ KCNK3 O14649 1/20 0.59

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
SCHEMBL1911526 0.86 HTT (0.67) HTTALDH1A1LMNACYP2C19HIF1A
SCHEMBL30533390 0.84 LMNA (0.81) ALDH1A1LMNAMAPTHIF1AL3MBTL1
SCHEMBL18125243 0.84 GSK3B (0.67) HTTBRAFALDH1A1LMNAMAPT
SCHEMBL12978017 0.83 ALDH1A1 (0.68) HTTBRAFALDH1A1LMNAMAPT
SCHEMBL12017613 0.83 BRAF (0.79) HTTBRAFALDH1A1LMNAMAPT
SCHEMBL12979 0.81 BRAF (0.79) BRAFALDH1A1LMNAMAPTHIF1A
SCHEMBL31661935 0.81 BRAF (0.79) BRAFALDH1A1LMNAMAPTHIF1A
SCHEMBL19663017 0.81 LMNA (0.69) ALDH1A1LMNAMAPTHIF1AL3MBTL1
SCHEMBL19531638 0.80 HTT (0.67) HTTALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL12978290 0.79 HTT (0.63) HTTBRAFALDH1A1LMNACYP2C19

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-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

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 HTT 2101/4885BRAF 4392/4885ALDH1A1 551/4885

“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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