SCHEMBL4056735

SCHEMBL4056735

O=S1(=O)Nc2ccccc2N1c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HSD17B10 Q99714 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
NCF1 P14598 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
MTOR P42345 1/20 0.40
HTR3A P46098 1/20 0.40
HTR5A P47898 1/20 0.40
HTR6 P50406 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL3598970 0.76 MGLL (0.39) ALDH1A1KDM4ELMNAOPRL1RECQL
SCHEMBL3604966 0.76 MEN1 (0.39) POLBHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL3600126 0.76 MGLL (0.39) POLBALDH1A1KDM4EHPGDOPRL1
SCHEMBL3608728 0.75 OPRL1 (0.36) POLBHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL3596885 0.75 PTPN1 (0.41) KDM4EOPRL1RECQLOPRM1
SCHEMBL4059777 0.74 HSP90AA1 (0.40) POLBHTR3EHTR3BHTR3AHTR5A
SCHEMBL3610877 0.73 OPRL1 (0.40) KDM4ELMNAOPRL1RECQLOPRM1
SCHEMBL4053612 0.73 HCAR1 (0.37) HTR7KDM4ELMNAOPRL1RECQL
SCHEMBL3605620 0.72 PDE7A (0.40) KDM4EOPRL1RECQLOPRM1
SCHEMBL4060353 0.72 MGLL (0.44) POLBHSD17B10HTR3EHTR3BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 POLB 2072/4885HSD17B10 719/4885HTR3E 59/4885

“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.