SCHEMBL4619122

SCHEMBL4619122

CCn1cccc(C=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 11/20 0.40
▸ HDAC4 P56524 11/20 0.40
▸ HDAC1 Q13547 11/20 0.40
▸ HDAC7 Q8WUI4 11/20 0.40
▸ HDAC2 Q92769 11/20 0.40
▸ HDAC10 Q969S8 11/20 0.40
▸ HDAC11 Q96DB2 11/20 0.40
▸ HDAC8 Q9BY41 11/20 0.40
▸ HDAC6 Q9UBN7 11/20 0.40
▸ HDAC9 Q9UKV0 11/20 0.40
▸ HDAC5 Q9UQL6 11/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL25316781 0.78 NPC1 (0.49) MEN1LMNATHRBBLMKMT2A
SCHEMBL24915137 0.78 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19723217 0.77 BRD4 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10308970 0.74 PKM (0.49) ALDH1A1KDM4EMAPK1
SCHEMBL15368193 0.74 ALDH1A1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16347228 0.74 TRIM24 (0.54) MEN1LMNATHRBBLMKMT2A
SCHEMBL5403668 0.74 — —
SCHEMBL2645983 0.74 KDM4E (0.40) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL25637133 0.73 IDH1 (0.44) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL13020361 0.73 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20080207695-A1 Thrombin Inhibiting 2-Oxo-1,2,5,6-Tetrahydropyridine Derivatives ASTRAZENECA AB (SE) 2008-08-28 — — US disclosed
CN-101243069-A Thrombin inhibiting 2-oxo-1,2,5,6-tetrahydropyridine derivatives ASTRAZENECA AB (SE) 2008-08-13 — — CN disclosed
EP-1893601-A1 THROMBIN INHIBITING 2-OXO-1, 2, 5, 6-TETRAHYDROPYRIDINE DERIVATIVES AstraZeneca AB (SE) 2008-03-05 — — EP disclosed
WO-2006135323-A1 THROMBIN INHIBITING 2-OXO-1, 2, 5, 6-TETRAHYDROPYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-12-21 — — 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-20080207695-A1 Thrombin Inhibiting 2-Oxo-1,2,5,6-Tetrahydropyridine Derivatives F2R, F2, SERPINE1 HDAC3 797/4885HDAC4 3187/4885HDAC1 588/4885

“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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