SCHEMBL4911205

SCHEMBL4911205

O=[N+]([O-])c1ccc(N2CCc3ccccc3C2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.63
MAPT P10636 11/20 0.61
LMNA P02545 6/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPK1 P28482 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
PKM P14618 1/20 0.54
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL3025176 0.85 MAPT (0.68) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL30109399 0.84 MEN1 (0.63) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL14464189 0.80 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL29744710 0.79 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3042630 0.79 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL28809914 0.78 KMT2A (0.57) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6609282 0.77 MEN1 (1.00) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL27784865 0.77 MAPT (0.66) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL5820109 0.77 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL7814507 0.77 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1MAPTLMNA

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
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
EP-1786422-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY Prosidion Limited (GB) 2007-05-23 EP disclosed
WO-2006018662-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY PROSIDION LIMITED (GB) 2006-02-23 WO disclosed
WO-2003106454-A1 1H-ISOQUINOLINE-OXAZOLIDINONE DERIVATIES AND THEIR USE AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-12-24 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 (2 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-20080261952-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R ALDH1A1 274/4885KMT2A 1905/4885MEN1 4843/4885
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R ALDH1A1 274/4885KMT2A 1905/4885MEN1 4843/4885

“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.