SCHEMBL2028282

SCHEMBL2028282

O=C(O)NCCCCCc1nc(-c2cccs2)no1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.69
HDAC2 Q92769 3/20 0.69
HDAC8 Q9BY41 3/20 0.69
MCL1 Q07820 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
DAGLA Q9Y4D2 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.50
FFAR1 O14842 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL2031451 0.99 HDAC1 (0.67) HDAC1HDAC2HDAC8MCL1SMN1; SMN2
SCHEMBL2033239 0.95 MCL1 (0.67) HDAC1HDAC2HDAC8MCL1SMN1; SMN2
SCHEMBL2027869 0.90 MCL1 (0.70) HDAC1HDAC2HDAC8MCL1SMN1; SMN2
SCHEMBL12641424 0.85 HDAC1 (0.61) HDAC1HDAC2HDAC8MCL1SMN1; SMN2
SCHEMBL12580587 0.84 HDAC1 (0.60) HDAC1HDAC2HDAC8MCL1SMN1; SMN2
SCHEMBL12641398 0.80 HDAC1 (0.58) HDAC1HDAC2HDAC8MCL1SMN1; SMN2
SCHEMBL6325635 0.79 MCL1 (1.00) HDAC1HDAC2HDAC8MCL1SMN1; SMN2
SCHEMBL4440934 0.77 HDAC1 (0.62) HDAC1HDAC2HDAC8MCL1SMN1; SMN2
SCHEMBL4440742 0.76 MCL1 (0.63) HDAC1HDAC2HDAC8MCL1SMN1; SMN2
SCHEMBL19287090 0.75 MCL1 (0.62) HDAC1HDAC2HDAC8MCL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 US claimed
US-8338599-B2 Compounds having a potentiating effect on the activity of ethionamide and uses thereof INSTITUT PASTEUR DE LILLE (FR) 2012-12-25 US disclosed
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 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 (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-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF EPX, PGLS, ENPEP HDAC1 139/4885HDAC2 463/4885HDAC8 451/4885

“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.