SCHEMBL366221

SCHEMBL366221

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(C(=O)NS(C)(=O)=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
NCOR2 Q9Y618 3/20 0.49
GCG P01275 1/20 0.48
SCN9A Q15858 4/20 0.47
BCL2L1 Q07817 6/20 0.46
MCL1 Q07820 6/20 0.46
SLC6A5 Q9Y345 1/20 0.43
MAOB P27338 1/20 0.43
SMPD1 P17405 1/20 0.43
ADAM17 P78536 1/20 0.42

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
Diethylamine SCHEMBL14890048 0.96 GCG (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16319446 0.88 SCN9A (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL365276 0.80 BCL2L1 (0.47) SCN9ABCL2L1MCL1ADAM17SCN5A
SCHEMBL14900608 0.79 MRGPRX4 (0.53) SCN9ABCL2L1MCL1SLC6A5MAOB
SCHEMBL367011 0.79 MAOB (0.48) SCN9ABCL2L1MCL1SLC6A5MAOB
Diethylamine SCHEMBL16239843 0.76 CYP1A2 (0.46) SCN9ABCL2L1MCL1ADAM17SCN5A
SCHEMBL366570 0.76 MMP1 (0.58) HDAC3HDAC1HDAC2SCN9ABCL2L1
Formic Acid SCHEMBL14891710 0.75 MRGPRX4 (0.45) SCN9ABCL2L1MCL1SLC6A5MAOB
SCHEMBL364237 0.75 BCL2L1 (0.72) HDAC3HDAC1HDAC2NCOR2BCL2L1
SCHEMBL366812 0.74 MAOB (0.63) HDAC1HDAC2SCN9ABCL2L1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096500-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
US-9096500-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
US-9096500-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
EP-2593428-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593428-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593428-A2 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Pfizer Limited (GB) 2013-05-22 EP disclosed
US-20130109701-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109701-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109701-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
WO-2012007868-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 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-20130109701-A1 Chemical Compounds SCN1A, SCN1B, SCN7A HDAC3 387/4885HDAC4 1270/4885HDAC1 370/4885

“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.