SCHEMBL1543214

SCHEMBL1543214

COC(=O)C1(c2ccc(CNCc3ccccc3)cc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.49
HRH3 Q9Y5N1 1/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
CHRM3 P20309 1/20 0.47
APOBEC3A P31941 3/20 0.46
APOBEC3G Q9HC16 3/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PRCP P42785 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
AKR1C1 Q04828 1/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL1042494 0.84 HDAC4 (0.62) HDAC4CHRM3APOBEC3AAPOBEC3GHTT
SCHEMBL1038755 0.84 HDAC4 (0.62) HDAC4CHRM3APOBEC3AAPOBEC3GHTT
SCHEMBL1042365 0.84 HDAC4 (0.62) HDAC4CHRM3APOBEC3AAPOBEC3GHTT
SCHEMBL1041983 0.82 AKR1C1 (0.63) HDAC4CHRM3APOBEC3AAPOBEC3GHTT
SCHEMBL23164194 0.80 NPC1 (0.52) SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL29262953 0.80 HRH3 (0.53) HDAC4HRH3APOBEC3AAPOBEC3GHTT
SCHEMBL2481767 0.79 AKR1C1 (0.58) HDAC4CHRM3APOBEC3AAPOBEC3GHTT
SCHEMBL1407574 0.79 HRH3 (0.52) HDAC4HRH3APOBEC3AAPOBEC3GL3MBTL1
SCHEMBL3486826 0.77 CHRM3 (0.47) HDAC4HRH3CHRM3APOBEC3AAPOBEC3G
SCHEMBL3485510 0.76 MAPT (0.53) HDAC4HRH3CHRM3SMN1; SMN2ALDH1A1

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 3 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
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 HDAC4 260/4885HRH3 166/4885ERCC1 4125/4885

“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.