SCHEMBL3083328

SCHEMBL3083328

CCN(CC)CCc1ncccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.49
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MYC P01106 1/20 0.42
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40

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
SCHEMBL258368 0.83 KDM4E (0.53) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL5739430 0.82 KDM4E (0.52) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL4005286 0.81 GABRP (0.56) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL28221584 0.80 KDM4E (0.53) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL123202 0.80 KDM4E (0.57) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL7386044 0.79 GABRP (0.51) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL6589980 0.79 ALDH1A1 (0.53) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL16760836 0.79 NAPRT (0.53) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL9858538 0.78 KDM4E (0.55) NAPRTKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL11284703 0.78 NAPRT (0.56) NAPRTKDM4ETDP1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT NAPRT 3/4885KDM4E 3322/4885TDP1 1717/4885

“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.