SCHEMBL6923800

SCHEMBL6923800

CCCCC(CCC)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.44
ENPP2 Q13822 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 2/20 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
SCHEMBL13991736 0.93 ALDH1A1 (0.51) CACNA2D1ENPP2TDP1KCNH2ALDH1A1
SCHEMBL28320279 0.93 HDAC8 (0.43) CACNA2D1TDP1ALDH1A1SIGMAR1HDAC3
SCHEMBL24404172 0.93 HDAC8 (0.43) CACNA2D1TDP1ALDH1A1SIGMAR1HDAC3
SCHEMBL11458527 0.93 HDAC8 (0.43) CACNA2D1TDP1ALDH1A1SIGMAR1HDAC3
SCHEMBL25124425 0.92 ENPP2 (0.43) ENPP2TDP1KCNH2ALDH1A1MEN1
SCHEMBL14541275 0.92 TDP1 (0.50) CACNA2D1TDP1KCNH2ALDH1A1MAPK1
SCHEMBL10633066 0.91 HDAC8 (0.43) ENPP2TDP1KCNH2ALDH1A1MEN1
SCHEMBL18896255 0.90 TDP1 (0.45) ENPP2TDP1KCNH2ALDH1A1MEN1
SCHEMBL19271855 0.89 HDAC8 (0.44) ENPP2TDP1ALDH1A1HDAC3HDAC1
SCHEMBL23861793 0.89 HDAC8 (0.44) ENPP2TDP1ALDH1A1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340489-B2 Process for the preparation of deuterated compounds containing N-alkyl groups SANOFI (FR) 2016-05-17 US disclosed
US-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS SANOFI (FR) 2014-03-20 US disclosed
EP-1019574-A4 AUTHENTICATING A TEXTILE PRODUCT NOCOPI INT INC (US) 2003-01-02 EP disclosed
EP-1019574-A1 AUTHENTICATING A TEXTILE PRODUCT Nocopi Technologies, Inc. (US) 2000-07-19 EP disclosed
WO-1999014416-A1 AUTHENTICATING A TEXTILE PRODUCT NOCOPI TECHNOLOGIES, INC. (US) 1999-03-25 WO 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-20140081019-A1 PROCESS FOR THE PREPARATION OF DEUTERATED COMPOUNDS CONTAINING N-ALKYL GROUPS HDHD5, DRD4, DRD2 CACNA2D1 4018/4885ENPP2 1342/4885TDP1 3043/4885

“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.