SCHEMBL6019394

SCHEMBL6019394

N#CN(C(N)=O)C(=O)[CH]Cc1c[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 2/20 0.43
MPO P05164 2/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CTSC P53634 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.42
HTR1B P28222 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42

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
SCHEMBL6021610 0.84 MAPT (0.42) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL6921417 0.82 HTR1A (0.49) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL2992112 0.81 HTR1A (0.50) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL6923390 0.81 ALDH1A1 (0.50) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL2124899 0.79 MAPT (0.54) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL7620098 0.78 HTR1A (0.53) MAPTMPOPMP22ALDH1A1GAA
SCHEMBL6019726 0.76 CYP2A6 (0.43) ALDH1A1SMN1; SMN2CYP2A6CTSKTAAR1
SCHEMBL6021436 0.74 ALDH1A1 (0.37) MAPTKDM4EALDH1A1CTSCGAA
SCHEMBL18498486 0.74 MEN1 (0.59) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL631077 0.73 MAPT (0.50) MAPTMEN1KMT2AKDM4ELMNA

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 12 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
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO 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 MAPT 4235/4885MEN1 4215/4885KMT2A 1324/4885

“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.