SCHEMBL13323912

SCHEMBL13323912

COc1cnn(C(C)C)c(=O)c1-c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
NPBWR1 P48145 7/20 0.43
PDE9A O76083 2/20 0.42
STK10 O94804 1/20 0.40
SLK Q9H2G2 1/20 0.40
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
DUSP3 P51452 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PDGFRB P09619 1/20 0.38
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 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
SCHEMBL13323945 0.84 SMN1; SMN2 (0.39) MAPTALDH1A1SMN1; SMN2RAB9ANPBWR1
SCHEMBL13323884 0.81 NPBWR1 (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13323939 0.75 SMN1; SMN2 (0.38) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13324025 0.75 NPBWR1 (0.43) MAPTALDH1A1SMN1; SMN2NPBWR1PDE9A
SCHEMBL13324015 0.73 ALOX5 (0.37) ALDH1A1SMN1; SMN2NPBWR1PDE9AKDM4E
SCHEMBL10072551 0.72 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13323954 0.71 PPARG (0.39) ALDH1A1SMN1; SMN2NPBWR1KDM4ECYP1A2
SCHEMBL8220809 0.71 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7796061 0.70 MAPT (0.63) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13323993 0.68 NPBWR1 (0.38) ALDH1A1SMN1; SMN2NPBWR1PDE9APDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718612-B2 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2009-02-05 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-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors PRSS1, SPINT2, TMPRSS4 MAPT 4248/4885ALDH1A1 975/4885MEN1 4132/4885

“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.