SCHEMBL4523736

SCHEMBL4523736

CS(=O)(=O)c1ccc(N2CCCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HTR6 P50406 4/20 0.58
ADRB1 P08588 5/20 0.51
SIRT6 Q8N6T7 1/20 0.49
CHRNB2 P17787 5/20 0.48
CHRNA4 P43681 5/20 0.48
AKR1C3 P42330 1/20 0.48
HTR3E A5X5Y0 3/20 0.47
HTR3B O95264 3/20 0.47
HTR3A P46098 3/20 0.47
HTR3D Q70Z44 3/20 0.47
HTR3C Q8WXA8 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
GPR119 Q8TDV5 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Bromide SCHEMBL3846722 0.98 LMNA (0.59) LMNAKDM4EALDH1A1HTR6ADRB1
SCHEMBL532144 0.93 ALDH1A1 (0.69) LMNAKDM4EALDH1A1HTR6ADRB1
Piperazine SCHEMBL27980528 0.92 ALDH1A1 (0.67) LMNAKDM4EALDH1A1HTR6ADRB1
Hydrochloric Acid SCHEMBL20482315 0.92 KDM4E (0.67) LMNAKDM4EALDH1A1HTR6ADRB1
SCHEMBL12826096 0.84 LMNA (0.59) LMNAALDH1A1AKR1C3GPR119MAPK1
SCHEMBL1970481 0.83 LMNA (0.58) LMNAKDM4EALDH1A1AKR1C3GPR119
SCHEMBL3485771 0.78 GPR119 (0.64) LMNAKDM4EALDH1A1HTR6AKR1C3
SCHEMBL82301 0.78 ADRB1 (0.85) LMNAKDM4EALDH1A1HTR6ADRB1
SCHEMBL31531621 0.78 ALDH1A1 (0.71) LMNAKDM4EALDH1A1HTR6ADRB1
SCHEMBL17276864 0.76 ADRB1 (0.68) LMNAKDM4EALDH1A1HTR6ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203676-A1 G-protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-08-13 US disclosed
US-20090203676-A1 G-protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-08-13 US disclosed
US-20090203676-A1 G-protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-08-13 US disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2007003964-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 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-20090203676-A1 G-protein Coupled Receptor Agonists GPR119, GCGR, GPBAR1 LMNA 4434/4885KDM4E 4578/4885ALDH1A1 1188/4885

“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.