SCHEMBL4905083

SCHEMBL4905083

O=C(c1cc(F)ccc1C(F)(F)F)N1CCN(C(=O)C(S)Cc2cccc(Cl)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.62
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MDM2 Q00987 2/20 0.42
P2RX7 Q99572 3/20 0.42
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
MC4R P32245 1/20 0.41
EPHX2 P34913 1/20 0.40
SCD O00767 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40

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
SCHEMBL4905399 0.89 HDAC8 (0.80) HDAC8ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL4905417 0.89 HDAC8 (0.80) HDAC8ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL4775830 0.81 HDAC8 (0.68) HDAC8ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL4905856 0.81 HDAC8 (0.54) HDAC8P2RX7SCN9AMC4R
SCHEMBL4794738 0.78 HDAC8 (0.63) HDAC8SMN1; SMN2MDM2MC4RSCD
SCHEMBL17549802 0.77 HDAC8 (1.00) HDAC8ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL4909543 0.77 HDAC8 (1.00) HDAC8ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL19887507 0.77 HDAC8 (1.00) HDAC8ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL4777046 0.75 HDAC8 (0.60) HDAC8MDM2MC4REPHX2SCD
SCHEMBL4778449 0.75 HDAC8 (0.57) HDAC8MC4REPHX2

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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 HDAC8 16/4885ALDH1A1 1068/4885HTT 171/4885

“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.