SCHEMBL313190

SCHEMBL313190

COc1ccc2c(O)nc(-c3nc(C(C)C)cs3)nc2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.33
ALDH1A1 P00352 5/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
SCN9A Q15858 1/20 0.32
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.31
CYP19A1 P11511 2/20 0.30
CYP17A1 P05093 1/20 0.30

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
SCHEMBL8006887 0.87 ADORA2A (0.36) APLNRALDH1A1MEN1KMT2AKDM4E
SCHEMBL1496441 0.87 ALDH1A1 (0.33) APLNRALDH1A1MEN1MAPTKMT2A
SCHEMBL995496 0.82 ALDH1A1 (0.35) APLNRALDH1A1MEN1MAPTKMT2A
SCHEMBL10272030 0.80 ALDH1A1 (0.34) APLNRALDH1A1MEN1MAPTKMT2A
SCHEMBL1496428 0.79 APLNR (0.35) APLNRALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL996629 0.79 ALDH1A1 (0.33) APLNRALDH1A1MEN1MAPTKMT2A
SCHEMBL577814 0.78 ALDH1A1 (0.33) APLNRALDH1A1MEN1MAPTKMT2A
SCHEMBL8006162 0.77 ALDH1A1 (0.37) APLNRALDH1A1MEN1MAPTKMT2A
SCHEMBL10222107 0.76 CTSS (0.32) APLNRALDH1A1MAPTRAB9AKDM4E
SCHEMBL882975 0.75 ALDH1A1 (0.33) APLNRALDH1A1KDM4ETDP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250174-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2013-08-28 EP disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8003659-B2 Macrocyclic serine protease inhibitors INDENIX PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
EP-2250174-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 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-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 APLNR 2636/4885ALDH1A1 1790/4885MEN1 3350/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 APLNR 2636/4885ALDH1A1 1790/4885MEN1 3350/4885

“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.