SCHEMBL30123443

SCHEMBL30123443

CN1CSc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 4/20 0.49
▸ CASP6 P55212 2/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CASP4 P49662 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CASP9 P55211 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL27888371 0.87 ESPL1 (0.43) SNCACASP6CASP1CASP3CASP4
SCHEMBL29219009 0.81 SNCA (0.43) SNCACASP6CASP1CASP3CASP4
SCHEMBL3042154 0.77 LMNA (0.57) SNCACASP6CASP1CASP3CASP4
SCHEMBL8226386 0.75 SNCA (0.78) SNCACASP6CASP1CASP3CASP4
SCHEMBL27620706 0.73 SNCA (0.42) SNCACASP6CASP1CASP3CASP4
SCHEMBL9499652 0.73 L3MBTL1 (0.51) CASP6CASP1CASP3CASP4CASP7
SCHEMBL28283586 0.71 ALDH1A1 (0.41) SIRT2LMNAGAAALDH1A1POLB
SCHEMBL5949996 0.71 TDP1 (0.40) CASP6SIRT2L3MBTL1LMNAGAA
SCHEMBL1580092 0.70 ALDH1A1 (0.43) SNCASIRT2LMNAGAAALDH1A1
SCHEMBL499998 0.70 NOS3 (0.48) SNCACASP6CASP1CASP3CASP4

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-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-15 — — 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-20220396553-A1 NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF AANAT, NAT1, HNMT SNCA 3774/4885CASP6 4289/4885CASP1 3253/4885

“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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