SCHEMBL643352

SCHEMBL643352

C[Si](C)(C)OC(C(=O)Cl)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL643304 1.00 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL641564 0.82 ALDH1A1 (0.42) SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL641563 0.82 ALDH1A1 (0.42) SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL5362478 0.77 ALDH1A1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14575920 0.77 ALDH1A1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8427950 0.70 GRM7 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8427952 0.70 GRM7 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8427951 0.70 GRM7 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11007028 0.69 BRD4 (0.41) HDAC4HDAC7HDAC5SMN1; SMN2NPC1
SCHEMBL11007022 0.69 BRD4 (0.41) HDAC4HDAC7HDAC5SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119673-B2 Compounds 148 ASTRAZENECA AB (SE) 2012-02-21 — — US disclosed
US-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors ASTRAZENECA AB (SE) 2011-06-02 — — US disclosed
EP-2321301-A1 NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2011-05-18 — — EP disclosed
WO-2009157860-A1 NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2009-12-30 — — WO disclosed
US-20090318517-A1 Novel Compounds 148 ASTRAZENECA AB (SE) 2009-12-24 — — 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 (2 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-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors TFPI, TFPI2, SPINT2 HDAC3 280/4885HDAC4 1483/4885HDAC1 327/4885
US-20090318517-A1 Novel Compounds 148 SERPINB1, SPINT2, TFPI HDAC3 1401/4885HDAC4 2960/4885HDAC1 1484/4885

“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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