SCHEMBL12401713

SCHEMBL12401713

CCCC(NC(C)(C)C)C(=O)C(=O)NCc1cc(-c2ccc(C)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 6/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
JAK2 O60674 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 1/20 0.37
THRB P10828 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
SCHEMBL16330256 0.89 LMNA (0.48) LMNAPOLBSMN1; SMN2CYP1A2HPGD
SCHEMBL13117641 0.76 CTSK (0.56) LMNAMAPTRAB9A
SCHEMBL12401676 0.73 CTSK (0.41) LMNAMAPTRAB9A
SCHEMBL12401711 0.73 ALDH1A1 (0.47) POLBSMN1; SMN2CYP1A2HPGDALDH1A1
SCHEMBL6407970 0.72 POLB (0.59) LMNAPOLBSMN1; SMN2CYP1A2HPGD
SCHEMBL12401725 0.70 RAB9A (0.57) LMNASMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL12401673 0.70 CTSK (0.59) LMNAPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6409325 0.69 NPC1 (0.64) LMNAPOLBSMN1; SMN2CYP1A2HPGD
SCHEMBL6403149 0.69 NPC1 (0.57) LMNAPOLBSMN1; SMN2CYP1A2ALDH1A1
SCHEMBL6410101 0.69 POLB (0.54) LMNAPOLBSMN1; SMN2CYP1A2HPGD

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-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 LMNA 2814/4885POLB 3945/4885SMN1; SMN2 2265/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 LMNA 2850/4885POLB 4161/4885SMN1; SMN2 2156/4885

“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.