Sugi Predict

Sugi Predict / Compounds / SCHEMBL3553791

SCHEMBL3553791

SCHEMBL3553791

O=C(c1ccccc1)n1c(=O)c(I)cn(CCCCCl)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ CNR2 P34972 1/20 0.36
▸ P2RX4 Q99571 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TYMP P19971 1/20 0.32

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
SCHEMBL3559036 0.96 KMT2A (0.42) KMT2ACNR2P2RX4CYP1A2CYP2C19
SCHEMBL14396282 0.85 KMT2A (0.41) KMT2ACNR2P2RX4MAPTHSD17B10
SCHEMBL5798294 0.82 KMT2A (0.44) KMT2AP2RX4CYP1A2CYP2C19TSHR
SCHEMBL2745513 0.81 KMT2A (0.42) KMT2AP2RX4CYP1A2CYP2C19TSHR
SCHEMBL14396330 0.81 KMT2A (0.42) KMT2ACNR2P2RX4MAPTGSK3B
SCHEMBL3562153 0.79 KMT2A (0.42) KMT2ACNR2GSK3BADORA2BSMN1; SMN2
SCHEMBL3560943 0.79 KMT2A (0.44) KMT2AGSK3BADORA2BLMNASMN1; SMN2
SCHEMBL2745475 0.77 KMT2A (0.42) KMT2AP2RX4CYP1A2CYP2C19TSHR
SCHEMBL15196009 0.76 KMT2A (0.41) KMT2AP2RX4CYP1A2CYP2C19TSHR
SCHEMBL3563580 0.75 KMT2A (0.39) KMT2A

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
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 — — EP disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 — — US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 — — US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 — — US disclosed
EP-2007750-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 — — EP disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 — — US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 — — US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 — — US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 — — 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-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 KMT2A 1692/4885CNR2 1948/4885P2RX4 186/4885

“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.