SCHEMBL8020048

SCHEMBL8020048

Cc1ccncc1C(=O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.61
▸ SIRT3 Q9NTG7 1/20 0.61
▸ SMYD3 Q9H7B4 1/20 0.41
▸ LIMK1 P53667 1/20 0.40
▸ KDM4C Q9H3R0 6/20 0.38
▸ KDM6B O15054 2/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4D Q6B0I6 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL3813267 0.85 TDP1 (0.58) TDP1SIRT3SMYD3LIMK1KDM4C
SCHEMBL26763842 0.85 TDP1 (0.47) TDP1SIRT3LIMK1KDM4CKDM6B
SCHEMBL3817492 0.82 TDP1 (0.54) TDP1SIRT3SMYD3LIMK1KDM4C
SCHEMBL22343744 0.79 KDM4C (0.52) TDP1SIRT3KDM4CKDM6BL3MBTL1
SCHEMBL29571308 0.78 TDP1 (0.68) TDP1SIRT3KDM4CKDM6BL3MBTL1
SCHEMBL258230 0.78 TDP1 (0.68) TDP1SIRT3KDM4CKDM6BL3MBTL1
SCHEMBL29496054 0.78 TDP1 (0.68) TDP1SIRT3SMYD3KDM4CKDM6B
SCHEMBL3100795 0.78 TDP1 (0.68) TDP1SIRT3SMYD3KDM4CKDM6B
SCHEMBL3817310 0.77 SIRT3 (0.56) TDP1SIRT3SMYD3KDM4CKDM6B
SCHEMBL13162021 0.77 SIRT3 (0.56) TDP1SIRT3SMYD3TYK2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962551-B2 Quinoxalinyl derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-02-24 — — US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 — — US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 — — US disclosed
WO-2009073719-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 — — WO 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 TDP1 2694/4885SIRT3 243/4885SMYD3 2840/4885

“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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