SCHEMBL6020196

SCHEMBL6020196

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HTR2A P28223 1/20 0.44
PKM P14618 1/20 0.44
HTR1A P08908 1/20 0.44
HTR6 P50406 1/20 0.44
CTSC P53634 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
NMBR P28336 1/20 0.43
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CDK4 P11802 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
SCHEMBL6923390 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL26903537 0.76 MEN1 (0.55) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6021017 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBCYP2D6CTSL
SCHEMBL6020134 0.76 CTSL (0.55) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6020589 0.75 RIPK1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL14212015 0.73 GPR84 (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6020198 0.73 MEN1 (0.49) ALDH1A1MEN1KMT2APKMNPC1
SCHEMBL6021226 0.73 CTSL (0.70) MAPTSMN1; SMN2CTSLCTSSCTSK
SCHEMBL6021347 0.72 TACR1 (0.63) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6020622 0.71 TACR1 (0.56) MEN1KMT2ACTSCNMBRCTSL

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 ALDH1A1 662/4885KDM4E 970/4885MEN1 4215/4885

“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.