SCHEMBL5518299

SCHEMBL5518299

CCCCCc1ccnc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
HIF1A Q16665 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PPARA Q07869 3/20 0.51
KAT8 Q9H7Z6 2/20 0.51

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
SCHEMBL1132805 0.98 PPARA (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL28019655 0.98 PPARA (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10983487 0.98 PPARA (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9096446 0.98 PPARA (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2271579 0.97 PPARA (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL4294721 0.95 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL968485 0.94 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL4863083 0.88 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL971588 0.87 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1803862 0.86 LNPEP (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1315859-C Lincomycin derivatives possessing antibacterial activity VICURON PHARM INC (US) 2007-05-16 CN disclosed
US-7164011-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-01-16 US disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 EP disclosed
CN-1681832-A Lincomycin derivatives possessing antibacterial activity VICURON PHARM INC (US) 2005-10-12 CN disclosed
EP-1529052-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-05-11 EP disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 US disclosed
US-20040116690-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-06-17 US disclosed
WO-2004016632-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-02-26 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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN ALDH1A1 2737/4885MAPT 4332/4885KDM4E 3921/4885

“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.