SCHEMBL2161122

SCHEMBL2161122

COc1ccncc1C=NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
HASPIN Q8TF76 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A1 P04798 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP1B1 Q16678 3/20 0.38
CYP2D6 P10635 2/20 0.38

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
SCHEMBL25403169 0.77 CA12 (0.46) LMNAHPGDKDM4EMAPTCA12
SCHEMBL17484611 0.76 CCNT1 (0.42) LMNAHPGDHTTMAPTCCNT1
SCHEMBL1605930 0.76 ERN1 (0.49) LMNAKDM4EMAPTCA12CA1
SCHEMBL30937481 0.76 ERN1 (0.49) LMNAKDM4EMAPTCA12CA1
SCHEMBL13723991 0.76 CCNT1 (0.42) LMNAHPGDHTTMAPTCCNT1
SCHEMBL1605483 0.75 CA12 (0.41) LMNAHPGDKDM4EKMT2AMEN1
SCHEMBL21484579 0.74 CYP3A4 (0.47) LMNAHPGDKDM4EMAPTCA12
SCHEMBL1982834 0.73 CCNT1 (0.43) LMNAHPGDHTTKDM4EKMT2A
SCHEMBL2160891 0.73 HPGD (0.69) LMNAHPGDHTTKDM4EKMT2A
SCHEMBL2420718 0.73 HPGD (0.69) LMNAHPGDHTTKDM4EKMT2A

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 6 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-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (3 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 2814/4885HPGD 1806/4885HTT 3023/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 LMNA 2814/4885HPGD 1806/4885HTT 3023/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 LMNA 2850/4885HPGD 1824/4885HTT 3200/4885

“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.