SCHEMBL5083115

SCHEMBL5083115

O=C(NCc1ccc(Cl)cc1)c1cncnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
SCN2A Q99250 1/20 0.59
SCN10A Q9Y5Y9 1/20 0.59
CYP2C19 P33261 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
HPGD P15428 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NAMPT P43490 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RAB9A P51151 1/20 0.57
CYP3A4 P08684 1/20 0.56
MAPK14 Q16539 1/20 0.56
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL5213176 0.87 TSHR (0.71) TSHRSCN2ASCN10ACYP2C19CYP1A2
SCHEMBL31043805 0.84 TSHR (0.53) TSHRSCN2ASCN10ANPSR1NAMPT
SCHEMBL5083050 0.84 L3MBTL1 (0.69) TSHRCYP2C19CYP1A2MEN1KMT2A
SCHEMBL5077115 0.83 HPGDS (0.67) SCN2ASCN10AHPGDSMN1; SMN2RAB9A
SCHEMBL4564344 0.83 MAOB (0.58) TSHRHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5079678 0.83 HDAC3 (0.58) TSHRSCN2ASCN10ALMNAHDAC3
SCHEMBL8987867 0.83 MEN1 (0.78) TSHRCYP2C19CYP1A2CYP2C9NAMPT
SCHEMBL5078937 0.83 EPHX2 (0.60) TSHRNAMPTSMN1; SMN2MAPK14HDAC1
SCHEMBL1569160 0.82 CYP3A4 (0.74) TSHRCYP2C19CYP1A2CYP2C9HPGD
SCHEMBL31358834 0.80 RAB9A (0.62) CYP2C19CYP1A2CYP2C9HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US 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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A TSHR 1356/4885SCN2A 1766/4885SCN10A 2096/4885

“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.