SCHEMBL3910380

SCHEMBL3910380

O=S(=O)(c1ccccc1)c1cnc2c(NCc3cccnc3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.52
PKM P14618 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
IDO1 P14902 1/20 0.48
MEN1 O00255 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP2C9 P11712 1/20 0.47
SLC40A1 Q9NP59 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL3922873 0.80 TDP1 (0.46) NAMPTSMN1; SMN2ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL3909223 0.80 TDP1 (0.45) NAMPTSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL23416155 0.76 SLC40A1 (0.55) KMT2AMEN1SLC40A1
SCHEMBL3915801 0.75 SLC40A1 (0.45) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL3913472 0.74 SLC40A1 (0.44) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL3908444 0.73 HTR6 (0.46) SLC40A1TSHR
SCHEMBL3910472 0.72 HTR2A (0.44) SLC40A1
SCHEMBL1034598 0.71 VNN1 (0.50) NAMPTALDH1A1MAPTKMT2AIDO1
Hydrochloric Acid SCHEMBL3911171 0.71 HTR2A (0.44) SLC40A1
SCHEMBL3918840 0.71 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928833-B1 NOVEL QUINOLINE COMPOUNDS CAPABLE OF BINDING AT THE CB2 RECEPTOR GLAXO GROUP LTD (GB) 2009-02-18 EP claimed
US-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor GLAXO GROUP LIMITED (GB) 2008-10-09 US claimed
EP-1928833-B1 NOVEL QUINOLINE COMPOUNDS CAPABLE OF BINDING AT THE CB2 RECEPTOR GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
US-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor GLAXO GROUP LIMITED (GB) 2008-10-09 US disclosed
US-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor GLAXO GROUP LIMITED (GB) 2008-10-09 US disclosed
US-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor GLAXO GROUP LIMITED (GB) 2008-10-09 US disclosed
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2007039220-A1 NOVEL QUINOLINE COMPOUNDS CAPABLE OF BINDING AT THE CB2 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-12 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-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor CNR2, CNR1, GPR52 NAMPT 1987/4885PKM 4316/4885SMN1; SMN2 3506/4885

“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.