SCHEMBL3083326

SCHEMBL3083326

CCN(CC)CCc1ccncc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 11/20 0.42
KDM6B O15054 7/20 0.42
KDM4D Q6B0I6 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
KDM4A O75164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
IDO1 P14902 1/20 0.38
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36

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
SCHEMBL258369 0.82 KDM4C (0.51) KDM4CKDM6BKDM4DTDP1KDM4E
Hydrochloric Acid SCHEMBL5739434 0.81 KDM4C (0.50) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL30465694 0.80 KDM4C (0.51) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL123203 0.80 KDM4C (0.51) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL4005290 0.80 GABRP (0.55) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL2398894 0.78 FOLH1 (0.56) KDM4EALDH1A1SCN1ASCN2ASCN3A
SCHEMBL9858541 0.77 KDM4C (0.47) KDM4CKDM6BKDM4DTDP1KDM4E
Acetic Acid SCHEMBL16666943 0.77 KDM4C (0.49) KDM4CKDM6BKDM4DTDP1KDM4E
SCHEMBL4998341 0.77 KDM6B (0.51) KDM4CKDM6BGABRPGABRDGABRA1
SCHEMBL6072747 0.77 KDM6B (0.51) KDM4CKDM6BGABRPGABRDGABRA1

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 KDM4C 4041/4885KDM6B 3153/4885KDM4D 3625/4885

“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.