SCHEMBL1543586

SCHEMBL1543586

CN(C)C(=O)C1(C#N)CCCC(N(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
CCR5 P51681 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
USP30 Q70CQ3 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
AGER Q15109 3/20 0.36
MTNR1A P48039 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC18A3 Q16572 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1543234 0.88 MEN1 (0.40) MAPK1CCR5MEN1KMT2AUSP30
SCHEMBL1543068 0.84 POLB (0.42) MAPK1CCR5MEN1KMT2AKDM4E
SCHEMBL1543248 0.81 CCR5 (0.41) CCR5MEN1KMT2AUSP30ALDH1A1
SCHEMBL1543430 0.80 HSD11B1 (0.44) CCR5MEN1KMT2AUSP30KDM4E
SCHEMBL1543657 0.78 SMN1; SMN2 (0.41) CCR5MEN1KMT2AUSP30NPSR1
SCHEMBL19583039 0.75 CCR5 (0.44) MAPK1CCR5MEN1KMT2ANPSR1
SCHEMBL14657441 0.73 TRPA1 (0.51) MAPK1CCR5MEN1KMT2ANPSR1
SCHEMBL13734746 0.73 TRPA1 (0.51) MAPK1CCR5MEN1KMT2ANPSR1
SCHEMBL14657444 0.73 TRPA1 (0.51) MAPK1CCR5MEN1KMT2ANPSR1
SCHEMBL1543700 0.72 KDM4E (0.41) MAPK1CCR5MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 MAPK1 1907/4885CCR5 1112/4885MEN1 2257/4885

“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.