SCHEMBL6020533

SCHEMBL6020533

CCN(C#N)C(=O)C(Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
RAB9A P51151 11/20 0.51
MAPT P10636 6/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL6021346 0.92 CHRM2 (0.46) GSK3BRAB9AMAPTMEN1KMT2A
SCHEMBL6019279 0.91 KDM4E (0.52) GSK3BRAB9AMAPTMEN1KMT2A
SCHEMBL6020688 0.87 KMT2A (0.49) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL6019395 0.85 MAPK1 (0.63) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL6020974 0.85 SMN1; SMN2 (0.42) GSK3BRAB9AMAPTMEN1KMT2A
SCHEMBL6020305 0.84 HTT (0.48) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL6020184 0.83 FPR2 (0.51)
SCHEMBL6021238 0.83 GSK3B (0.58) GSK3BRAB9AMAPTMEN1KMT2A
SCHEMBL6020940 0.82 NPC1 (0.48) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6020284 0.81 FPR2 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 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 (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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 GSK3B 4271/4885RAB9A 841/4885MAPT 4235/4885

“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.