SCHEMBL476730

SCHEMBL476730

NC1CCCCN(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.45
ALOX12 P18054 1/20 0.45
MDH2 P40926 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
PTPN7 P35236 1/20 0.41
IP6K1 Q92551 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MATK P42679 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
PIM3 Q86V86 1/20 0.41

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
SCHEMBL476838 1.00 HPGD (0.45) HPGDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8802912 0.86 HPGD (0.54) HPGDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9666677 0.84 HPGD (0.54) HPGDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL29728320 0.79 HPGD (0.52) HPGDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10530599 0.79 PIM3 (0.51) HPGDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10529452 0.79 HPGD (0.47) HPGDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL15557018 0.78 HPGD (0.46) HPGDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9443458 0.77 HPGD (0.52) HPGDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9051473 0.77 HPGD (0.52) HPGDALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9596257 0.77 HSD17B10 (0.59) HPGDALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604020-B2 Fluoroquinolone carboxylic acid molecular crystals BAUSCH & LOMB INCORPORATED (US) 2013-12-10 US claimed
US-20130252946-A1 Fluoroquinolone Carboxylic Acid Molecular Crystals BAUSCH & LOMB INCORPORATED (US) 2013-09-26 US claimed
EP-2411369-A1 FLUOROQUINOLONE CARBOXYLIC ACID MOLECULAR CRYSTALS Bausch & Lomb Incorporated (US) 2012-02-01 EP claimed
US-20110144329-A1 Amorphous Besifloxacin Solid ORAPHARMA, INC. 2011-06-16 US claimed
US-20100311731-A1 Fluoroquinolone Carboxylic Acid Molecular Crystals SALIX PHARMACEUTICALS, INC. 2010-12-09 US claimed
WO-2010111116-A1 FLUOROQUINOLONE CARBOXYLIC ACID MOLECULAR CRYSTALS BAUSCH & LOMB INCORPORATED (US) 2010-09-30 WO claimed
US-8518935-B2 Amorphous besifloxacin solid BAUSCH & LOMB INCORPORATED (US) 2013-08-27 US disclosed
CN-102369189-A Fluoroquinolone carboxylic acid molecular crystals BAUSCH & LOMB 2012-03-07 CN disclosed
EP-2411369-A1 FLUOROQUINOLONE CARBOXYLIC ACID MOLECULAR CRYSTALS Bausch & Lomb Incorporated (US) 2012-02-01 EP disclosed
EP-2411369-A1 FLUOROQUINOLONE CARBOXYLIC ACID MOLECULAR CRYSTALS Bausch & Lomb Incorporated (US) 2012-02-01 EP disclosed
US-20110144329-A1 Amorphous Besifloxacin Solid ORAPHARMA, INC. 2011-06-16 US disclosed
US-20110144329-A1 Amorphous Besifloxacin Solid ORAPHARMA, INC. 2011-06-16 US disclosed
US-20100311731-A1 Fluoroquinolone Carboxylic Acid Molecular Crystals SALIX PHARMACEUTICALS, INC. 2010-12-09 US disclosed
US-20100311731-A1 Fluoroquinolone Carboxylic Acid Molecular Crystals SALIX PHARMACEUTICALS, INC. 2010-12-09 US disclosed
WO-2010111116-A1 FLUOROQUINOLONE CARBOXYLIC ACID MOLECULAR CRYSTALS BAUSCH & LOMB INCORPORATED (US) 2010-09-30 WO disclosed
WO-2010111116-A1 FLUOROQUINOLONE CARBOXYLIC ACID MOLECULAR CRYSTALS BAUSCH & LOMB INCORPORATED (US) 2010-09-30 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-20110144329-A1 Amorphous Besifloxacin Solid SP1, ABCG2, YBX1 HPGD 2867/4885ALDH1A1 2593/4885MEN1 4248/4885

“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.