SCHEMBL6319912

SCHEMBL6319912

CS(=O)(=O)n1cc(CC2=NCCN2)c2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.44
HTR1B P28222 4/20 0.41
HTR6 P50406 3/20 0.39
TAAR1 Q96RJ0 5/20 0.39
ADRA2A P08913 4/20 0.39
ADRA2C P18825 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA2B P18089 3/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1B P35368 3/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
CYP2D6 P10635 2/20 0.38
HTR1A P08908 1/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
RAD52 P43351 1/20 0.37
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4717077 0.87 ADRA2C (0.46) HTR1DHTR1BHTR6TAAR1ADRA2A
SCHEMBL4717682 0.87 ADRA1A (0.46) HTR1DHTR1BHTR6TAAR1ADRA2A
SCHEMBL4722295 0.85 ADRA2A (0.47) HTR1DHTR1BHTR6TAAR1ADRA2A
SCHEMBL4717753 0.84 HTR6 (0.53) HTR1DHTR6TAAR1ADRA2AADRA2C
SCHEMBL4717770 0.83 HTR1D (0.38) HTR1DHTR1BTAAR1ADRA2AADRA2C
SCHEMBL4717783 0.80 ADRA2C (0.46) HTR1DHTR1BHTR6TAAR1ADRA2A
SCHEMBL4717081 0.80 ADRA2A (0.46) HTR1DHTR1BHTR6TAAR1ADRA2A
SCHEMBL4721369 0.79 TAAR1 (0.45) HTR1DHTR1BTAAR1ADRA2AADRA2C
SCHEMBL4720414 0.75 TAAR1 (0.45) HTR1DHTR1BHTR6TAAR1ADRA2A
SCHEMBL4717265 0.74 TAAR1 (0.50) HTR1DHTR1BTAAR1ADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979696-B2 Method for detecting a gram-negative bacterial autoinducer molecule ROCHE PALO ALTO LLC (US) 2005-12-27 US disclosed
US-20040224973-A1 Substituted indoles as alpha-1 agonists ROCHE PALO ALTO LLC 2004-11-11 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-20040224973-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1D HTR1D 12/4885HTR1B 34/4885HTR6 139/4885

“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.