SCHEMBL4403748

SCHEMBL4403748

CC(C)c1nnn(Cc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
NPC1 O15118 2/20 0.50
GHSR Q92847 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
CYP19A1 P11511 2/20 0.44
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL21793295 0.85 KMT2A (0.51) RAB9AL3MBTL1NPC1SMN1; SMN2KMT2A
SCHEMBL16019065 0.85 PNMT (0.44) RAB9AL3MBTL1NPC1SMN1; SMN2POLB
SCHEMBL13863968 0.83 KMT2A (0.46) RAB9AL3MBTL1NPC1CYP19A1KMT2A
SCHEMBL21123203 0.83 RAB9A (0.57) RAB9AL3MBTL1NPC1GHSRSMN1; SMN2
SCHEMBL31272747 0.80 MAPT (0.40) RAB9AL3MBTL1NPC1GHSRKMT2A
SCHEMBL18770588 0.77 RAB9A (0.44) RAB9AL3MBTL1NPC1GHSRSMN1; SMN2
SCHEMBL4409236 0.77 RAB9A (0.59) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4407355 0.77 RAB9A (0.54) RAB9AL3MBTL1NPC1GHSRSMN1; SMN2
SCHEMBL4405590 0.77 RAB9A (0.62) RAB9AL3MBTL1NPC1SMN1; SMN2CYP19A1
SCHEMBL4407425 0.76 RAB9A (0.57) RAB9AL3MBTL1NPC1GHSRSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730913-B2 High affinity beta lactamase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2017-08-15 US disclosed
US-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-20090130059-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-05-21 US disclosed
US-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 RAB9A 3922/4885L3MBTL1 3365/4885NPC1 314/4885
US-20090130059-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 RAB9A 3922/4885L3MBTL1 3365/4885NPC1 314/4885

“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.